Information card for entry 2206664

Structure parameters

• Common name: Ent-kaurane
• Chemical name: 16β,17-Dihydroxy-ent-kauran-19-oic acid
• Formula: C20 H32 O4
• Calculated formula: C20 H32 O4
• SMILES: O=C(O)[C@@]1(CCC[C@@]2([C@@H]1CC[C@]13[C@H]2CC[C@H](C1)[C@](O)(C3)CO)C)C
• Title of publication: 16β,17-Dihydroxy-<i>ent</i>-kauran-19-oic acid
• Authors of publication: Nasir Rasool; Viqar Uddin Ahmad; M. Iqbal Choudhary; Shazia Anjum; Hoong-Kun Fun; Shamsher Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o3053 - o3055
• a: 7.819 ± 0.0007 Å
• b: 10.5726 ± 0.0009 Å
• c: 21.836 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1805.1 ± 0.3 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: 0.0332
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes