Information card for entry 1551658

Structure parameters

• Formula: C11 H11 N O2
• Calculated formula: C11 H11 N O2
• Title of publication: Crystal Structure of 7-(Dimethylamino)-2<i>H</i>-1-benzopyran-2-one
• Authors of publication: KUBO, Kanji; MATSUMOTO, Taisuke; TAKECHI, Haruko
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2014
• Journal volume: 30
• Journal issue: 0
• Pages of publication: 23
• a: 6.6013 ± 0.0017 Å
• b: 7.4333 ± 0.0016 Å
• c: 20.317 ± 0.005 Å
• α: 79.893 ± 0.015°
• β: 89.616 ± 0.017°
• γ: 66.704 ± 0.016°
• Cell volume: 899.3 ± 0.4 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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 significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No