Information card for entry 2103791

Structure parameters

• Common name: Aplysinol
• Formula: C15 Br O2
• Calculated formula: C15 Br O2
• SMILES: Brc1c(cc2O[C@]3([C@H](CC[C@]3(c2c1)C)C)CO)C
• Title of publication: 22 Space-group changes
• Authors of publication: Clemente, Dore Augusto; Marzotto, Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 43 - 50
• a: 13.75 ± 0.005 Å
• b: 13.75 ± 0.005 Å
• c: 7.319 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1383.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0093
• Residual factor for significantly intense reflections: 0.0085
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 0.308
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No