Information card for entry 2101631

Structure parameters

• Formula: C21 H21 N O
• Calculated formula: C21 H21 N O
• 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: 31.863 ± 0.002 Å
• b: 11.088 ± 0.002 Å
• c: 9.4 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3321 ± 1.2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1386
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0331
• Goodness-of-fit parameter for all reflections: 1.529
• Goodness-of-fit parameter for significantly intense reflections: 1.946
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes