Information card for entry 2014594

Structure parameters

• Chemical name: diphenyl(4-pyridyl)methyl methacrylate
• Formula: C22 H19 N O2
• Calculated formula: C22 H19 N O2
• SMILES: O=C(OC(c1ccncc1)(c1ccccc1)c1ccccc1)C(=C)C
• Title of publication: Two new polymorphs of diphenyl(4-pyridyl)methyl methacrylate
• Authors of publication: Gobius du Sart, Gerrit; Alberda van Ekenstein, Gert O. R.; Meetsma, Auke; Ten Brinke, Gerrit
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o824 - o826
• a: 16.712 ± 0.002 Å
• b: 11.891 ± 0.001 Å
• c: 17.724 ± 0.002 Å
• α: 90°
• β: 101.045 ± 0.002°
• γ: 90°
• Cell volume: 3456.9 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1494
• Residual factor for significantly intense reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.2443
• Weighted residual factors for all reflections included in the refinement: 0.265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.462
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No