Information card for entry 2014136

Structure parameters

• Chemical name: 1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole
• Formula: C22 H22 F N
• Calculated formula: C22 H22 F N
• SMILES: Fc1ccc(n2c(cc3CCC(Cc23)(C)C)c2ccccc2)cc1
• Title of publication: Crystal engineering <i>via</i> C—H···F and C—H···π interactions in two substituted indoles
• Authors of publication: Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o644 - o647
• a: 9.273 ± 0.002 Å
• b: 10.786 ± 0.002 Å
• c: 10.936 ± 0.002 Å
• α: 61.647 ± 0.003°
• β: 65.525 ± 0.003°
• γ: 69.21 ± 0.003°
• Cell volume: 858.8 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes