Information card for entry 2226141

Structure parameters

• Common name: lagochiline monohydrate
• Chemical name: lagochiline monohydrate
• Formula: C20 H38 O6
• Calculated formula: C20 H38 O6
• SMILES: O1[C@@]2([C@@H](CC[C@H]3[C@@]([C@@H](O)CC[C@]23C)(CO)C)C)CC[C@]1(CCO)CO.O
• Title of publication: Redetermnation of lagochiline monohydrate
• Authors of publication: Ibragimov, Aziz; Dolimov, Davron; Talipov, Samat; Izotova, Lidiya; Zainutdinov, Umardjon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1392
• a: 7.28495 ± 0.00014 Å
• b: 12.5933 ± 0.0003 Å
• c: 22.7324 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2085.51 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0511
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes