Information card for entry 7150988

Structure parameters

• Formula: C27 H23 O5 P
• Calculated formula: C27 H23 O5 P
• Title of publication: Intermolecular sequential [4 + 2]-cycloaddition‒aromatization reaction of aryl-substituted allenes with DMAD affording phenanthrene and naphthalene derivatives
• Authors of publication: Jiang, Xuefeng; Kong, Wangqing; Chen, Jie; Ma, Shengming
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 19
• Pages of publication: 3606 - 3610
• a: 11.33 ± 0.01 Å
• b: 22 ± 0.019 Å
• c: 9.42 ± 0.008 Å
• α: 90°
• β: 98.108 ± 0.015°
• γ: 90°
• Cell volume: 2325 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No