Information card for entry 2236961

Structure parameters

• Chemical name: 8-Methoxy-2<i>H</i>-chromene-3-carbaldehyde
• Formula: C11 H10 O3
• Calculated formula: C11 H10 O3
• SMILES: O=CC1=Cc2c(OC1)c(OC)ccc2
• Title of publication: 8-Methoxy-2<i>H</i>-chromene-3-carbaldehyde
• Authors of publication: Koh, Dongsoo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3419
• a: 6.894 ± 0.0006 Å
• b: 13.2079 ± 0.0011 Å
• c: 20.0964 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1829.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0994
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes