Information card for entry 8104704

Structure parameters

• Formula: C26 H19 Br2 Cl N2
• Calculated formula: C26 H19 Br2 Cl N2
• Title of publication: Crystal structure of 1,4-bis(4-bromobenzyl)-4-(4-chlorophenyl)-1,4-dihydropyridine-3-carbonitrile, C26H19Br2ClN2
• Authors of publication: Shao, Han-Qiao; Wang, Yin-Xin; Sun, Hai-Yang; Wang, Yu-Cai; Sun, Wu-Ji
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 4
• Pages of publication: 763 - 765
• a: 9.483 ± 0.0012 Å
• b: 10.2313 ± 0.0012 Å
• c: 13.5948 ± 0.0018 Å
• α: 111.234 ± 0.002°
• β: 98.025 ± 0.002°
• γ: 101.707 ± 0.002°
• Cell volume: 1170.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0796
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No