Information card for entry 7213392

Structure parameters

• Formula: C21 H18 O2
• Calculated formula: C21 H18 O2
• Title of publication: Synthesis of C-ring substituted xanthones from the [4 + 2] cycloaddition reaction of vinylchromones and acyclic enamines
• Authors of publication: Kelkar, Avijit S.; Letcher, Roy M.; Cheung, Kung-Kai; Chiu, Kwei-Fung; Brown, Geoffrey D.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 3732
• a: 14.408 ± 0.002 Å
• b: 7.993 ± 0.002 Å
• c: 14.544 ± 0.002 Å
• α: 90°
• β: 107.88 ± 0.02°
• γ: 90°
• Cell volume: 1594 ± 0.5 ų
• Cell temperature: 301.2 K
• Ambient diffraction temperature: 301.2 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 significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.0968
• Goodness-of-fit parameter for significantly intense reflections: 1.994
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No