Information card for entry 2008183

Structure parameters

• Chemical name: 3-(3-bromopropyl)-5-nitro-1H-indole
• Formula: C11 H11 Br N2 O2
• Calculated formula: C11 H11 Br N2 O2
• Title of publication: Two 3-substituted 5-nitroindoles
• Authors of publication: Garcia, J. Gabriel; Billodeaux, Damon R.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: IUC9900007
• a: 5.2326 ± 0.0003 Å
• b: 16.766 ± 0.002 Å
• c: 6.613 ± 0.0005 Å
• α: 90°
• β: 106.983 ± 0.005°
• γ: 90°
• Cell volume: 554.86 ± 0.09 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for significantly intense reflections: 1.978
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No