Information card for entry 2004363

Structure parameters

• Chemical name: N-Hexyl-N-phenyl-2-(5-ethylthioindole)carboxamide
• Formula: C23 H28 N2 O S
• Calculated formula: C23 H28 N2 O S
• Title of publication: <i>N</i>-Hexyl-<i>N</i>-phenyl-5-ethylthioindole-2-carboxamide
• Authors of publication: Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, C.; Caubère, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 197 - 199
• a: 13.184 ± 0.002 Å
• b: 9.077 ± 0.002 Å
• c: 17.75 ± 0.004 Å
• α: 90°
• β: 91.98 ± 0.01°
• γ: 90°
• Cell volume: 2122.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1866
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections: 0.2605
• Weighted residual factors for significantly intense reflections: 0.1629
• Goodness-of-fit parameter for all reflections: 1.004
• Goodness-of-fit parameter for significantly intense reflections: 1.258
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No