Information card for entry 2239667

Structure parameters

• Chemical name: Diethyl 4-(biphenyl-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C25 H27 N O4
• Calculated formula: C25 H27 N O4
• SMILES: O=C(OCC)C1=C(NC(=C(C1c1ccc(c2ccccc2)cc1)C(=O)OCC)C)C
• Title of publication: Diethyl 4-(biphenyl-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Steiger, Scott A.; Monacelli, Anthony J.; Li, Chun; Hunting, Janet L.; Natale, Nicholas R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o791 - o792
• a: 7.3431 ± 0.0003 Å
• b: 10.6075 ± 0.0004 Å
• c: 13.8449 ± 0.0006 Å
• α: 85.762 ± 0.003°
• β: 88.124 ± 0.003°
• γ: 73.53 ± 0.002°
• Cell volume: 1031.25 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 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: 0.1155
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes