Information card for entry 2241660

Structure parameters

• Chemical name: 4-Methyl-2-oxo-2<i>H</i>-chromene-7,8-diyl diacetate
• Formula: C14 H12 O6
• Calculated formula: C14 H12 O6
• Title of publication: Crystal structures of 4-methyl-2-oxo-2<i>H</i>-chromene-7,8-diyl diacetate and 4-methyl-2-oxo-2<i>H</i>-chromene-7,8-diyl bis(pent-4-ynoate)
• Authors of publication: Akinyemi, Akintunde; Thomas, Courtney; Marsh, Willis; Butcher, Ray J.; Jasinski, Jerry P.; Maynard-Smith, Lystranne A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 704 - 708
• a: 7.3722 ± 0.001 Å
• b: 8.7235 ± 0.0007 Å
• c: 11.7032 ± 0.0015 Å
• α: 69.263 ± 0.01°
• β: 87.519 ± 0.011°
• γ: 69.113 ± 0.01°
• Cell volume: 654.66 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes