Information card for entry 2012055

Structure parameters

• Chemical name: Ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate
• Formula: C26 H23 N O2
• Calculated formula: C26 H23 N O2
• SMILES: N1C(=C(C(C=C1c1ccccc1)c1ccccc1)C(=O)OCC)c1ccccc1
• Title of publication: Dimorphism of ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate
• Authors of publication: Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 772 - 774
• a: 7.5178 ± 0.0001 Å
• b: 10.0669 ± 0.0002 Å
• c: 14.6364 ± 0.0002 Å
• α: 73.534 ± 0.001°
• β: 80.826 ± 0.001°
• γ: 81.478 ± 0.001°
• Cell volume: 1042.46 ± 0.03 ų
• Cell temperature: 163 K
• Ambient diffraction temperature: 163 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes