Information card for entry 7242595

Structure parameters

• Chemical name: 7-Amino-4-methylcoumarin
• Formula: C10 H9 N O2
• Calculated formula: C10 H9 N O2
• SMILES: o1c2c(c(cc1=O)C)ccc(N)c2
• Title of publication: A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin
• Authors of publication: Sasaki, Toshiyuki; Ranjan, Subham; Takamizawa, Satoshi
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 34
• Pages of publication: 5801 - 5804
• a: 6.9361 ± 0.0007 Å
• b: 7.1569 ± 0.0006 Å
• c: 9.5654 ± 0.0009 Å
• α: 71.825 ± 0.003°
• β: 84.915 ± 0.003°
• γ: 69.902 ± 0.003°
• Cell volume: 423.58 ± 0.07 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No