Information card for entry 2230450

Structure parameters

• Chemical name: 1-Butyl-3-(1-naphthoyl)-1<i>H</i>-indole
• Formula: C23 H21 N O
• Calculated formula: C23 H21 N O
• SMILES: O=C(c1c2c(n(CCCC)c1)cccc2)c1cccc2c1cccc2
• Title of publication: 1-Butyl-3-(1-naphthoyl)-1<i>H</i>-indole
• Authors of publication: Xu, Hong; Sun, Hong-shun; Luo, Feng-mao; Ding, Jian-qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1349
• a: 11.799 ± 0.002 Å
• b: 11.529 ± 0.002 Å
• c: 26.22 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3566.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1358
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes