Information card for entry 1507346

Structure parameters

• Formula: C12 H10 O3
• Calculated formula: C24 H20 O6
• Title of publication: Strain-induced regioselectivities in reactions of benzyne possessing a fused four-membered ring.
• Authors of publication: Hamura, Toshiyuki; Ibusuki, Yousuke; Sato, Kazuhiko; Matsumoto, Takashi; Osamura, Yoshihiro; Suzuki, Keisuke
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 20
• Pages of publication: 3551 - 3554
• a: 12.641 ± 0.001 Å
• b: 5.8808 ± 0.0006 Å
• c: 14.023 ± 0.002 Å
• α: 90°
• β: 111.009 ± 0.005°
• γ: 90°
• Cell volume: 973.16 ± 0.19 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 3.437
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No