Information card for entry 2241661

Structure parameters

• Chemical name: 4-Methyl-2-oxo-2<i>H</i>-chromene-7,8-diyl bis(pent-4-ynoate)
• Formula: C20 H16 O6
• Calculated formula: C20 H16 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: 5.2785 ± 0.0003 Å
• b: 16.3785 ± 0.0008 Å
• c: 20.0502 ± 0.0011 Å
• α: 90°
• β: 95.992 ± 0.002°
• γ: 90°
• Cell volume: 1723.95 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes