Information card for entry 4000324

Structure parameters

• Formula: C25 H23 N3 O2
• Calculated formula: C25 H23 N3 O2
• SMILES: O=C1N(C)C(=O)C(=C1c1c(C)n(c2c1cccc2)C)c1c(C)n(c2c1cccc2)C
• Title of publication: Bisindolylmaleimides as Red Electroluminescence Materials
• Authors of publication: Chiu, Ching-Wen; Chow, Tahsin J.; Chuen, Chang-Hao; Lin, Hsiu-Mei; Tao, Yu-Tai
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• Journal volume: 15
• Journal issue: 23
• Pages of publication: 4527 - 4532
• a: 8.344 ± 0.003 Å
• b: 10.043 ± 0.003 Å
• c: 12.731 ± 0.004 Å
• α: 82.65 ± 0.03°
• β: 88.36 ± 0.03°
• γ: 74.72 ± 0.02°
• Cell volume: 1020.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No