Information card for entry 2204641

Structure parameters

• Common name: 7-Methoxy-2,3-dihydro-1H-cyclopenta[b]chromen-1-one
• Chemical name: 7-Methoxy-2,3-dihydro-1H-cyclopenta[b]chromen-1-one
• Formula: C13 H12 O3
• Calculated formula: C13 H12 O3
• SMILES: O(c1ccc2OC3CCC(=O)C3=Cc2c1)C
• Title of publication: 7-Methoxy-2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]chromen-1-one
• Authors of publication: Huo, Fangjun; Yin, Caixia; Yang, Pin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2278 - o2280
• a: 8.0201 ± 0.0009 Å
• b: 12.098 ± 0.0013 Å
• c: 22.173 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2151.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes