Information card for entry 2231440

Structure parameters

• Chemical name: 3-(9<i>H</i>-Carbazol-9-yl)-2<i>H</i>-chromen-2-one
• Formula: C21 H13 N O2
• Calculated formula: C21 H13 N O2
• SMILES: n1(c2ccccc2c2ccccc12)c1cc2ccccc2oc1=O
• Title of publication: 3-(9<i>H</i>-Carbazol-9-yl)-2<i>H</i>-chromen-2-one
• Authors of publication: Letessier, Julien; Schollmeyer, Dieter; Detert, Heiner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2494
• a: 8.9451 ± 0.0012 Å
• b: 11.5412 ± 0.0007 Å
• c: 15.0477 ± 0.0017 Å
• α: 90°
• β: 105.871 ± 0.012°
• γ: 90°
• Cell volume: 1494.3 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0659
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes