Information card for entry 2102173

Structure parameters

• Formula: C11 H13 N O2
• Calculated formula: C11 H13 N O2
• Title of publication: Comparison of the structural motifs of acetoacetanilides and related azo pigments
• Authors of publication: Chisholm, Greig; Kennedy, Alan R.; Wilson, Sharon; Teat, Simon J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 1046 - 1053
• a: 26.766 ± 0.005 Å
• b: 9.3754 ± 0.0018 Å
• c: 8.1729 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2050.9 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0929
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes