Information card for entry 2010315

Structure parameters

• Chemical name: 1,2-Dihydro-8-methyl-9H-carbazol-4(3H)-one
• Formula: C13 H13 N O
• Calculated formula: C13 H13 N O
• Title of publication: 1,2-Dihydro-8-methyl-4(3<i>H</i>)-carbazolone prepared by a new arynic cyclization reaction
• Authors of publication: Ianelli, Sandra; Nardelli, Mario; Belletti, Daniele; Caubère, Caterine; Caubère, Paul; Jamart-Grégoire, Brigitte
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1919 - 1922
• a: 13.706 ± 0.006 Å
• b: 9.908 ± 0.004 Å
• c: 8.126 ± 0.003 Å
• α: 90°
• β: 105.29 ± 0.03°
• γ: 90°
• Cell volume: 1064.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for all reflections: 0.3721
• Weighted residual factors for significantly intense reflections: 0.2314
• Goodness-of-fit parameter for all reflections: 1.074
• Goodness-of-fit parameter for significantly intense reflections: 1.114
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuK-α~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No