Information card for entry 4027602

Structure parameters

• Formula: C28 H24 N2
• Calculated formula: C28 H24 N2
• SMILES: n1(c2ccccc2c2ccc(cc12)c1cc2n(c3ccccc3c2cc1)CC)CC
• Title of publication: Bicarbazoles: Systematic Structure-Property Investigations on a Series of Conjugated Carbazole Dimers
• Authors of publication: Shin-ichiro Kato; Hiroto Noguchi; Atsushi Kobayashi; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 9120 - 9133
• a: 15.7466 ± 0.0017 Å
• b: 15.9485 ± 0.0018 Å
• c: 8.156 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2048.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No