Information card for entry 7203862

Structure parameters

• Common name: 2-bromo-3-diphenylmethylene-2,3-dihydro-1,4-naphthoquinone
• Formula: C23 H15 Br O2
• Calculated formula: C23 H15 Br O2
• Title of publication: Kinetic study of thermolysis of diarylhomonaphthoquinones. Endo/exo substituent and solvent effects
• Authors of publication: Oshima, Takumi; Tamada, Kazushi; Tamura, Hatsue; Nagai, Toshikazu
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 1
• Pages of publication: 135
• a: 18.062 ± 0.004 Å
• b: 19.795 ± 0.009 Å
• c: 9.931 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3550.7 ± 1.9 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• 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: 0.26
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No