Information card for entry 8106942

Structure parameters

• Chemical name: 1,1'-diformyl-4,4'-(6<i>H</i>,12<i>H</i>-5,11-methano- dibenzo[<i>b</i>,<i>f</i>][<i>1</i>1,<i>5</i>]diazocine-2,8-diyl)dibenzene
• Formula: C29 H22 N2 O2
• Calculated formula: C29 H22 N2 O2
• Title of publication: Crystal structure of 1,1′-diformyl-4,4′-(6H,12H-5,11-methano-dibenzo[b,f][11,5]diazocine-2,8-diyl)dibenzene, C29H22N2O2
• Authors of publication: Qiu, Feng; Wan, Yu; Huang, Shu-ying; Zhou, Qiu-ju; Cui, Hao; Chu, Yan-huan; Zhou, Sheng-Liang; Han, Xiang-en; Wu, Hui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 569 - 572
• a: 22.4995 ± 0.0006 Å
• b: 9.937 ± 0.0003 Å
• c: 21.6466 ± 0.0006 Å
• α: 90°
• β: 115.941 ± 0.001°
• γ: 90°
• Cell volume: 4352.1 ± 0.2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.0764
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No