Information card for entry 2228552

Structure parameters

• Common name: carbazole
• Chemical name: (<i>E</i>)-2-(Furan-2-ylmethylidene)-8-methyl-2,3,4,9-tetrahydro-1<i>H</i>- carbazol-1-one
• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• SMILES: O=C1/C(=C/c2occc2)CCc2c3cccc(c3[nH]c12)C
• Title of publication: (<i>E</i>)-2-(Furan-2-ylmethylidene)-8-methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one
• Authors of publication: Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3145
• a: 6.7353 ± 0.0001 Å
• b: 16.1393 ± 0.0003 Å
• c: 25.9549 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2821.38 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0615
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes