Information card for entry 4517843

Structure parameters

• Chemical name: Indole-3-carbinol
• Formula: C9 H9 N O
• Calculated formula: C9 H9 N O
• 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: 17.5632 ± 0.0013 Å
• b: 15.4812 ± 0.0011 Å
• c: 8.2466 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2242.2 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0376
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No