Information card for entry 4114991

Structure parameters

• Formula: C27 H30 O2
• Calculated formula: C27 H30 O2
• Title of publication: Substituent Effects on the Stereochemistry in the [2 + 2] Photocycloaddition Reaction of Homobenzoquinone Derivative with Variously Substituted Alkenes and Alkynes
• Authors of publication: Ken Kokubo; Hiroshi Yamaguchi; Tatsuya Kawamoto; Takumi Oshima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 8912 - 8921
• a: 10.8087 ± 0.0005 Å
• b: 27.45 ± 0.002 Å
• c: 14.9497 ± 0.0009 Å
• α: 90°
• β: 99.183 ± 0.002°
• γ: 90°
• Cell volume: 4378.7 ± 0.5 ų
• Cell temperature: 296.2 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: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.744
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No