Information card for entry 2216863

Structure parameters

• Chemical name: Gibberellin A4 monohydrate
• Formula: C19 H26 O6
• Calculated formula: C19 H26 O6
• SMILES: O1[C@]23[C@@H]([C@](C1=O)([C@@H](O)CC2)C)[C@@H]([C@@]12[C@H]3CC[C@@H](C(=C)C1)C2)C(=O)O.O
• Title of publication: Gibberellin A4 monohydrate
• Authors of publication: Yun-Fen Hua; Hai Yan Li; Lin Lin Ma; Xing Zhang; Zhi Min Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o30 - o30
• a: 9.6466 ± 0.0013 Å
• b: 18.968 ± 0.003 Å
• c: 9.491 ± 0.0012 Å
• α: 90°
• β: 89.989 ± 0.003°
• γ: 90°
• Cell volume: 1736.6 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2052
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes