Information card for entry 8107697

Structure parameters

• Formula: C40 H36 F2 N2 O4
• Calculated formula: C40 H36 F2 N2 O4
• Title of publication: Crystal structure of diethyl 1,9-bis(4-fluorophenyl)-4,6-diphenylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta [b]pyridine-3,7(2H)-dicarboxylate, C40H36F2N2O4
• Authors of publication: Zhang, Zi-Ang; Li, Jun-Xiang; Lu, Sen-Bao; Li, Peng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1185 - 1187
• a: 9.818 ± 0.0016 Å
• b: 19.355 ± 0.003 Å
• c: 17.93 ± 0.003 Å
• α: 90°
• β: 102.353 ± 0.003°
• γ: 90°
• Cell volume: 3328.3 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No