Information card for entry 2226372

Structure parameters

• Chemical name: 14-Hydroxy-8,14-secogammacera-7-ene-3,21-dione
• Formula: C30 H48 O3
• Calculated formula: C30 H48 O3
• SMILES: O=C1CC[C@@]2([C@@H](C1(C)C)CC[C@](O)([C@H]2CC[C@@H]1C(=CC[C@H]2[C@@]1(C)CCC(=O)C2(C)C)C)C)C
• Title of publication: 14-Hydroxy-8,14-secogammacera-7-ene-3,21-dione from the bark of <i>Lansium domesticum</i> Corr.
• Authors of publication: Supratman, Unang; Mayanti, Tri; Awang, Khalijah; Mukhtar, Mat Ropi; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1621
• a: 11.8841 ± 0.0011 Å
• b: 14.8301 ± 0.0013 Å
• c: 15.2755 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2692.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes