Information card for entry 1503688

Structure parameters

• Formula: C27 H33 Br O4
• Calculated formula: C27 H33 Br O4
• SMILES: Brc1ccc(C(=O)O[C@H]2[C@H](O)[C@@H]3[C@](CCCC3(C)C)([C@@H]3[C@@H]2[C@H](c2c(occ2)C3)C)C)cc1
• Title of publication: Sucutiniranes C-F, cassane-type diterpenes from Bowdichia nitida.
• Authors of publication: Matsuno, Yosuke; Deguchi, Jun; Hosoya, Takahiro; Hirasawa, Yusuke; Hirobe, Chieko; Shiro, Motoo; Morita, Hiroshi
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 976 - 979
• a: 10.04377 ± 0.00018 Å
• b: 12.165 ± 0.0002 Å
• c: 19.2375 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2350.49 ± 0.1 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No