Information card for entry 1546407

Structure parameters

• Formula: C24 H12 Br4 N2
• Calculated formula: C24 H12 Br4 N2
• SMILES: Brc1ccc2n(n3c4ccc(Br)cc4c4cc(Br)ccc34)c3c(c2c1)cc(Br)cc3
• Title of publication: N,N′-Bicarbazole: A Versatile Building Block toward the Construction of Conjugated Porous Polymers for CO2 Capture and Dyes Adsorption
• Authors of publication: Yuan, Yuan; Huang, Hongliang; Chen, Long; Chen, Yulan
• Journal of publication: Macromolecules
• Year of publication: 2017
• a: 10.5047 ± 0.0008 Å
• b: 14.9725 ± 0.0011 Å
• c: 27.75 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4364.6 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No