Information card for entry 1519551

Structure parameters

• Formula: C24 H25 N O2
• Calculated formula: C24 H25 N O2
• SMILES: C1(=CCCCC1)C(=O)N(C(=O)c1ccccc1)c1cccc2CCCCc12
• Title of publication: C12H12.50N0.50O
• Authors of publication: Cunnigham, Ian; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2003
• Pages of publication: 885
• a: 8.2378 ± 0.0005 Å
• b: 9.2872 ± 0.0005 Å
• c: 25.4354 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1945.96 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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 all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No