Information card for entry 7201788

Structure parameters

• Formula: C20 H12 O8
• Calculated formula: C10 H6 O4
• Title of publication: Investigation of the factors favouring solid state [2 + 2] cycloaddition reactions; the [2 + 2] cycloaddition reaction of coumarin-3-carboxylic acid
• Authors of publication: Mahon, Mary F.; Raithby, Paul R.; Sparkes, Hazel A.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 573
• a: 11.3948 ± 0.0004 Å
• b: 5.97016 ± 0.00019 Å
• c: 12.4931 ± 0.0005 Å
• α: 90°
• β: 112.859 ± 0.002°
• γ: 90°
• Cell volume: 783.15 ± 0.05 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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
• Goodness-of-fit parameter for all reflections: 0.48
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No