Information card for entry 2210026

Structure parameters

• Common name: Cilnidipine
• Chemical name: 3-Cinnamyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4- dihydropyridine-3,5-dicarboxylate
• Formula: C27 H28 N2 O7
• Calculated formula: C27 H28 N2 O7
• SMILES: C1(=C(C(C(=C(C)N1)C(=O)OCCOC)c1cc(ccc1)N(=O)=O)C(=O)OC/C=C/c1ccccc1)C
• Title of publication: 3-Cinnamyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Ai-Xi Hu; Xiao-Yun Wu; Gao Cao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3161 - o3162
• a: 15.128 ± 0.0008 Å
• b: 59.932 ± 0.003 Å
• c: 10.9468 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9924.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes