Information card for entry 8106805

Structure parameters

• Formula: C18 H16 N2 O
• Calculated formula: C18 H16 N2 O
• Title of publication: Crystal structure of 2-(4-methoxyphenyl)-2,3-dihydro-1H-perimidine, C18H16N2O
• Authors of publication: Li, Hong-Mei; Zu, En-Pu; Xu, Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 133 - 134
• a: 12.1735 ± 0.0003 Å
• b: 7.36483 ± 0.00018 Å
• c: 16.1137 ± 0.0004 Å
• α: 90°
• β: 103.028 ± 0.002°
• γ: 90°
• Cell volume: 1407.5 ± 0.06 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No