Information card for entry 4508782

Structure parameters

• Formula: C37 H25 N O2
• Calculated formula: C37 H25 N O2
• SMILES: c1c2c(cccc2ccc1)CN(C(=O)c1c2ccccc2ccc1)C(=O)c1c2c(cc3c1cccc3)cccc2
• Title of publication: Phase-Dependent Emission of Naphthalene−Anthracene-Based Concave-Shaped Molecules
• Authors of publication: Masu, Hyuma; Mizutani, Ikuko; Ono, Yohei; Kishikawa, Keiki; Azumaya, Isao; Yamaguchi, Kentaro; Kohmoto, Shigeo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2086
• a: 9.7327 ± 0.0011 Å
• b: 11.0332 ± 0.0013 Å
• c: 14.5441 ± 0.0013 Å
• α: 111.525 ± 0.008°
• β: 90.548 ± 0.01°
• γ: 113.993 ± 0.009°
• Cell volume: 1304 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0986
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No