Information card for entry 7126912

Structure parameters

• Common name: Indomethacin
• Formula: C19 H16 Cl N O4
• Calculated formula: C19 H16 Cl N O4
• SMILES: Clc1ccc(C(=O)n2c3c(c(c2C)CC(=O)O)cc(OC)cc3)cc1
• Title of publication: A general method for cultivating single crystals from melt microdroplets.
• Authors of publication: Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 69
• Pages of publication: 9950 - 9953
• a: 9.2173 ± 0.0001 Å
• b: 9.606 ± 0.0002 Å
• c: 10.8436 ± 0.0002 Å
• α: 69.959 ± 0.002°
• β: 87.197 ± 0.001°
• γ: 69.501 ± 0.002°
• Cell volume: 842.09 ± 0.03 ų
• Cell temperature: 99.97 ± 0.11 K
• Ambient diffraction temperature: 99.97 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No