Information card for entry 8106572

Structure parameters

• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• Title of publication: Crystal structure of 3,3-dimethyl-3,4-dihydro-1H-benzo[c]chromene-1,6(2H)-dione, C15H14O3
• Authors of publication: Song, Rui; Zhou, Bo; Shao, Rui-Xin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 469 - 470
• a: 9.0972 ± 0.0011 Å
• b: 11.1576 ± 0.0014 Å
• c: 12.5933 ± 0.0016 Å
• α: 90°
• β: 105.368 ± 0.001°
• γ: 90°
• Cell volume: 1232.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.119
• 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