Information card for entry 4517844

Structure parameters

• Formula: C9 H6 N2
• Calculated formula: C9 H6 N2
• 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: 3.87758 ± 0.00014 Å
• b: 7.6453 ± 0.0003 Å
• c: 23.7995 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 705.54 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No