Information card for entry 2101632

Structure parameters

• Formula: C23 H25 N O
• Calculated formula: C23 H25 N O
• SMILES: O=C(N(C(C)C)C(C)C)C1=CC2c3ccccc3C1c1ccccc21
• Title of publication: Structures and photochemistry of dibenzobarrelene monoamides
• Authors of publication: Jones, R.; Rattray, A. G. M.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1007 - 1013
• a: 10.846 ± 0.001 Å
• b: 10.788 ± 0.002 Å
• c: 17.0463 ± 0.0009 Å
• α: 90°
• β: 107.836 ± 0.007°
• γ: 90°
• Cell volume: 1898.7 ± 0.4 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0336
• Goodness-of-fit parameter for all reflections: 1.763
• Goodness-of-fit parameter for significantly intense reflections: 2.227
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes