Information card for entry 4031360

Structure parameters

• Formula: C33 H28 N4 O
• Calculated formula: C33 H28 N4 O
• SMILES: n1c(cc(nc1OC)c1ccc2n(c3ccccc3c2c1)CC)c1ccc2n(c3ccccc3c2c1)CC
• Title of publication: Series of Carbazole-Pyrimidine Conjugates: Syntheses and Electronic, Photophysical, and Electrochemical Properties.
• Authors of publication: Kato, Shin-Ichiro; Yamada, Yuji; Hiyoshi, Hidetaka; Umezu, Kazuto; Nakamura, Yosuke
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 18
• Pages of publication: 9076 - 9090
• a: 17.0691 ± 0.0013 Å
• b: 7.8183 ± 0.0004 Å
• c: 20.8356 ± 0.0016 Å
• α: 90 ± 0.0007°
• β: 112.602 ± 0.0008°
• γ: 90 ± 0.0007°
• Cell volume: 2567 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No