Information card for entry 2226777

Structure parameters

• Common name: 14-Deoxyxyloccensin K
• Formula: C27 H34 O7
• Calculated formula: C27 H34 O7
• SMILES: o1cc(cc1)[C@@H]1OC(=O)C[C@@H]2[C@@]1(C)CC[C@H]1[C@@]32O[C@@H]2[C@H](C3)C(=O)[C@]1([C@H](C2(C)C)CC(=O)OC)C
• Title of publication: 14-Deoxyxyloccensin K from <i>Chisocheton ceramicus</i> (Meliaceae)
• Authors of publication: Najmuldeen, Ibrahim A.; Abdul Hadi, Abdul Hamid; Awang, Khalijah; Mohamad, Khalit; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1927
• a: 8.7174 ± 0.0006 Å
• b: 11.7401 ± 0.0008 Å
• c: 23.1106 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2365.2 ± 0.3 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: 0.0382
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes