Information card for entry 7105070

Structure parameters

• Formula: C58 H68 P2
• Calculated formula: C58 H68 P2
• Title of publication: Exploitation of an unprecedented silica-promoted acetylene-allene rearrangement for the preparation of C,C-diacetylenic phosphaalkenes.
• Authors of publication: Geng, Xue-Li; Ott, Sascha
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 7206 - 7208
• a: 9.4252 ± 0.0019 Å
• b: 26.239 ± 0.005 Å
• c: 10.502 ± 0.002 Å
• α: 90°
• β: 99.39 ± 0.03°
• γ: 90°
• Cell volume: 2562.5 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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 all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No