Information card for entry 2241983

Structure parameters

• Chemical name: 4-(4b,8a-Dihydro-9<i>H</i>-pyrido[3,4-<i>b</i>]indol-1-yl)-7-methyl-2<i>H</i>-chromen-2-one
• Formula: C21 H14 N2 O2
• Calculated formula: C21 H14 N2 O2
• SMILES: O1C(=O)C=C(c2ccc(cc12)C)c1nccc2c3ccccc3[nH]c12
• Title of publication: Crystal structure of 4-(4b,8a-dihydro-9<i>H</i>-pyrido[3,4-<i>b</i>]indol-1-yl)-7-methyl-2<i>H</i>-chromen-2-one
• Authors of publication: Samundeeswari, S.; Kulkarni, Manohar V.; Anil Kumar, G. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 56 - 58
• a: 10.6784 ± 0.0008 Å
• b: 8.0954 ± 0.0006 Å
• c: 17.9032 ± 0.0014 Å
• α: 90°
• β: 98.105 ± 0.005°
• γ: 90°
• Cell volume: 1532.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.131
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes