Information card for entry 2006347

Structure parameters

• Chemical name: (4RS,1'RS)-methyl 1-phenyl-2-piperidinoethyl 1,4-dihydro-2,6-dimethyl-4-(2- thienyl)pyridine-3,5-dicarboxylate methanol solvate
• Formula: C28.5 H38 N2 O5.5 S
• Calculated formula: C27.5 H27 Hc9 Hn N2 O5.5 S2
• Title of publication: (4<i>RS</i>,1'<i>RS</i>)-Methyl 1-Phenyl-2-piperidinoethyl 1,4-Dihydro-2,6-dimethyl-4-(2-thienyl)pyridine-3,5-dicarboxylate Methanol Solvate, C~27~H~32~N~2~O~4~S.1.5CH~4~O
• Authors of publication: Marubayashi, Nobuhiro; Mishina, Tadashi; Hamasaki, Toshio; Hirayama, Noriaki
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 913 - 915
• a: 14.074 ± 0.002 Å
• b: 15.738 ± 0.002 Å
• c: 13.588 ± 0.002 Å
• α: 96.82 ± 0.01°
• β: 100.61 ± 0.01°
• γ: 74.63 ± 0.01°
• Cell volume: 2844.7 ± 0.7 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for significantly intense reflections: 1.884
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No