Information card for entry 1503386

Structure parameters

• Formula: C79 H83 P2
• Calculated formula: C79 H83 P2
• Title of publication: Phosphaalkenes in pi-conjugation with acetylenic arenes.
• Authors of publication: Geng, Xue-Li; Hu, Qi; Schäfer, Bernhard; Ott, Sascha
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 692 - 695
• a: 10.095 ± 0.002 Å
• b: 10.465 ± 0.002 Å
• c: 17.655 ± 0.004 Å
• α: 85.03 ± 0.03°
• β: 76.92 ± 0.03°
• γ: 66.43 ± 0.03°
• Cell volume: 1665.2 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No