Information card for entry 7118657

Structure parameters

• Common name: VD23
• Formula: C55 H88 O2
• Calculated formula: C55 H88 O2
• SMILES: [C@@H](/C=C/[C@H]([C@@H]1[C@@]2([C@H](/C(=C/C=C\3C[C@@H](O)CCC3=C)CCC2)CC1)C)C)(C)C(C)C.C1CC(=C)C(=C\C=C/2[C@H]3[C@@]([C@@H]([C@@H](CCCC(C)C)C)CC3)(CCC2)C)/C[C@H]1O
• Title of publication: Drug-drug co-crystallization presents a new opportunity for the development of stable vitamins.
• Authors of publication: Wang, Jian-Rong; Yu, Qihui; Dai, Wenjuan; Mei, Xuefeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 17
• Pages of publication: 3572 - 3575
• a: 7.3985 ± 0.0009 Å
• b: 19.856 ± 0.002 Å
• c: 35.447 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5207.3 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1325
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No