Information card for entry 2008184

Structure parameters

• Chemical name: 3-(3-hydroxypropyl)-5-nitro-1H-indole
• Formula: C11 H12 N2 O3
• Calculated formula: C11 H12 N2 O3
• 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: 10.3272 ± 0.0007 Å
• b: 13.962 ± 0.001 Å
• c: 7.4435 ± 0.0006 Å
• α: 90°
• β: 99.489 ± 0.006°
• γ: 90°
• Cell volume: 1058.58 ± 0.14 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 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: 0.052
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for all reflections: 1.851
• Goodness-of-fit parameter for significantly intense reflections: 1.848
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No