Information card for entry 1519185

Structure parameters

• Formula: C26 H26 Br N O
• Calculated formula: C26 H26 Br N O
• SMILES: Br[C@@H](C(=O)N(c1c2ccc(c1)CCc1ccc(CC2)cc1)C)Cc1ccccc1
• Title of publication: C26H26BrNO
• Authors of publication: Pelter, Andy; Hibbs, Dai E.; Hursthouse, Michael B
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1997
• Pages of publication: 791
• a: 8.028 ± 0.003 Å
• b: 10.396 ± 0.002 Å
• c: 24.955 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2082.7 ± 0.9 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: 0.1004
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.0468
• Goodness-of-fit parameter for all reflections: 0.47
• Goodness-of-fit parameter for significantly intense reflections: 0.654
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No