Information card for entry 2101633

Structure parameters

• Formula: C32.75 H28.25 Cl0.75 N O
• Calculated formula: C33.8 H25 Cl0.25 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: 10.228 ± 0.003 Å
• b: 32.818 ± 0.003 Å
• c: 15.529 ± 0.003 Å
• α: 90°
• β: 99.79 ± 0.02°
• γ: 90°
• Cell volume: 5136.6 ± 1.9 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 5
• 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: 0.1737
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0411
• Goodness-of-fit parameter for significantly intense reflections: 2.41
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes