Information card for entry 1519539

Structure parameters

• Formula: C21 H21 N O2
• Calculated formula: C21 H21 N O2
• SMILES: C=C(C)C(=O)N(C(=O)c1ccccc1)c1cccc2c1CCCC2
• Title of publication: N-methacryloyl-N-5,6,7,8-tetrahydronaphthalen-1-ylbenzamide
• Authors of publication: Cunnigham, Ian; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2003
• Pages of publication: 886
• a: 14.0392 ± 0.0003 Å
• b: 13.8109 ± 0.0003 Å
• c: 16.9908 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3294.41 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No