Information card for entry 4026605

Structure parameters

• Formula: C21 H10 O
• Calculated formula: C42 H20 O2
• Title of publication: Synthesis of Oxosumanenes through Benzylic Oxidation
• Authors of publication: Toru Amaya; Maiko Hifumi; Michiaki Okada; Yasutomo Shimizu; Toshiyuki Moriuchi; Kouji Segawa; Yoichi Ando; Toshikazu Hirao
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 8049 - 8052
• a: 7.68545 ± 0.00015 Å
• b: 16.9437 ± 0.0003 Å
• c: 9.7925 ± 0.0002 Å
• α: 90°
• β: 103.049 ± 0.0012°
• γ: 90°
• Cell volume: 1242.25 ± 0.04 ų
• Cell temperature: 277.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No