Information card for entry 2206814

Structure parameters

• Chemical name: 3-Ethyl 5-methyl 4-(2-chlorophenyl)-6-methyl-2-[(2-phthalimidoethoxy)methyl]- 1,4-dihydropyridine-3,5-dicarboxylate diethyl ether hemisolvate
• Formula: C30 H32 Cl N2 O7.5
• Calculated formula: C30 H32 Cl N2 O7.5
• Title of publication: 3-Ethyl 5-methyl 4-(2-chlorophenyl)-6-methyl-2-[(2-phthalimidoethoxy)methyl]-1,4-dihydropyridine-3,5-dicarboxylate diethyl ether hemisolvate
• Authors of publication: Liu, He-Chao; Feng, Ya-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o3006 - o3007
• a: 32.134 ± 0.005 Å
• b: 10.8983 ± 0.0015 Å
• c: 22.339 ± 0.003 Å
• α: 90°
• β: 132.932 ± 0.002°
• γ: 90°
• Cell volume: 5727.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes