Information card for entry 2226973

Structure parameters

• Chemical name: Cycloart-24-ene-3<i>β</i>,26-diol
• Formula: C30 H50 O2
• Calculated formula: C30 H50 O2
• SMILES: OC/C(=C/CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O)C)C)C
• Title of publication: Cycloart-24-ene-3<i>{β</i>},26-diol from the leaves of <i>Aglaia exima</i>
• Authors of publication: Awang, Khalijah; Loong, Xe Min; Mohamad, Khalit; Chong, Soon Lim; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2142
• a: 9.995 ± 0.0014 Å
• b: 7.512 ± 0.001 Å
• c: 34.82 ± 0.005 Å
• α: 90°
• β: 91.029 ± 0.002°
• γ: 90°
• Cell volume: 2613.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0973
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes