Information card for entry 2208686

Structure parameters

• Chemical name: 1-(4-fluorophenyl)-5-benzyl-2-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo [3,2-c]pyridine
• Formula: C26 H23 F N2
• Calculated formula: C26 H23 F N2
• SMILES: N1(Cc2cc(n(c2CC1)c1ccc(F)cc1)c1ccccc1)Cc1ccccc1
• Title of publication: 5-Benzyl-1-(4-fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrrolo[3,2-<i>c</i>]pyridine
• Authors of publication: Chopra, Deepak; Nagarajan, K.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1588 - o1590
• a: 13.22 ± 0.008 Å
• b: 18.431 ± 0.011 Å
• c: 8.475 ± 0.005 Å
• α: 90°
• β: 103.223 ± 0.011°
• γ: 90°
• Cell volume: 2010 ± 2 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.1164
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No