Information card for entry 2004021

Structure parameters

• Chemical name: 7-dimethylamino-4-methylcoumarin
• Formula: C12 H13 N O2
• Calculated formula: C12 H13 N O2
• Title of publication: Coumarin 311
• Authors of publication: Yip, B.-C.; Yaw, O.-L.; Ong, L.-H.; Fun, H.-K.; Sivakumar, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2087 - 2089
• a: 9.082 ± 0.002 Å
• b: 10.778 ± 0.002 Å
• c: 11.088 ± 0.003 Å
• α: 76.93 ± 0.01°
• β: 83.41 ± 0.01°
• γ: 80.78 ± 0.01°
• Cell volume: 1040.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0658
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections: 0.1688
• Weighted residual factors for significantly intense reflections: 0.1688
• Goodness-of-fit parameter for all reflections: 1.116
• Goodness-of-fit parameter for significantly intense reflections: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No