Information card for entry 1507601

Structure parameters

• Formula: C28 H36 Br O3 P
• Calculated formula: C28 H36 Br O3 P
• Title of publication: Preparation of Functional Phosphorus Zwitterions from Activated Alkanes, Aldehydes, and Tributylphosphine: Synthesis of Polysubstituted Furo[3,2-c]coumarins.
• Authors of publication: Lee, Chia-Jui; Jang, Yeong-Jiunn; Wu, Zong-Ze; Lin, Wenwei
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 1906 - 1909
• a: 14.8256 ± 0.0005 Å
• b: 15.0546 ± 0.0005 Å
• c: 21.3969 ± 0.0007 Å
• α: 84.635 ± 0.002°
• β: 75.121 ± 0.002°
• γ: 62.07 ± 0.002°
• Cell volume: 4075.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No