Information card for entry 4517845

Structure parameters

• Chemical name: 5-Nitroindole
• Formula: C8 H6 N2 O2
• Calculated formula: C8 H6 N2 O2
• Title of publication: Structure and Morphology of Indole Analogue Crystals.
• Authors of publication: Pisarek, Joanna; Malinska, Maura
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 28
• Pages of publication: 17141 - 17151
• a: 3.75839 ± 0.00009 Å
• b: 12.0667 ± 0.0003 Å
• c: 15.8045 ± 0.0004 Å
• α: 90°
• β: 90.73 ± 0.002°
• γ: 90°
• Cell volume: 716.7 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0422
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No