Information card for entry 2224370

Structure parameters

• Chemical name: (4<i>R</i>,5<i>R</i>,10<i>S</i>)<i>-N</i>-(4-Bromophenyl)dehydroabietamide
• Formula: C26 H32 Br N O
• Calculated formula: C26 H32 Br N O
• SMILES: Brc1ccc(NC(=O)[C@]2([C@H]3[C@@](c4ccc(C(C)C)cc4CC3)(CCC2)C)C)cc1
• Title of publication: (4<i>R</i>,5<i>R</i>,10<i>S</i>)<i>-N</i>-(4-Bromophenyl)dehydroabietamide
• Authors of publication: Gu, Wen; Wang, Shifa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3270
• a: 5.964 ± 0.0012 Å
• b: 11.75 ± 0.002 Å
• c: 32.758 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2295.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1436
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes