{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 1)"],"submitter":["Menard MC"],"pubmed_abstract":["The title compound, C(33)H(24)O(6)·0.17H(2)O, which is commonly known as (SR,SR,SR)-trimethyl 1,10,19-truxentricarboxyl-ate, crystallizes as a hydrate with the water mol-ecule encapsulated between three ester groups by O-H⋯O hydrogen bonding to two of them. The water mol-ecule site is not fully occupied in the crystal studied, with a refined site occupancy of 0.167 (5). The 27-atom ring system is approximately planar, with a maximum deviation of 0.148 (1) Å, and the three ester substituents are all on the same side of this plane."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1-2"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3050226"],"repository":["biostudies-literature"],"pubmed_title":["(5SR,10SR,15SR)-Trimethyl 5H,10H,15H-diindeno-[1,2-a:1',2'-c]fluorene-5,10,15-tricarboxyl-ate 0.167-hydrate."],"pmcid":["PMC3050226"],"pubmed_authors":["Watkins SF","Fronczek FR","Menard MC","Dhar RK"],"additional_accession":[]},"is_claimable":false,"name":"(5SR,10SR,15SR)-Trimethyl 5H,10H,15H-diindeno-[1,2-a:1',2'-c]fluorene-5,10,15-tricarboxyl-ate 0.167-hydrate.","description":"The title compound, C(33)H(24)O(6)·0.17H(2)O, which is commonly known as (SR,SR,SR)-trimethyl 1,10,19-truxentricarboxyl-ate, crystallizes as a hydrate with the water mol-ecule encapsulated between three ester groups by O-H⋯O hydrogen bonding to two of them. The water mol-ecule site is not fully occupied in the crystal studied, with a refined site occupancy of 0.167 (5). The 27-atom ring system is approximately planar, with a maximum deviation of 0.148 (1) Å, and the three ester substituents are all on the same side of this plane.","dates":{"release":"2010-01-01T00:00:00Z","publication":"2010 Dec","modification":"2025-04-05T00:31:52.335Z","creation":"2019-03-27T00:00:42Z"},"accession":"S-EPMC3050226","cross_references":{"pubmed":["21522612"],"doi":["10.1107/S1600536810049056"]}}