Information card for entry 4028963

Structure parameters

• Formula: C35 H38.5 N O2 P
• Calculated formula: C35 H38 N O2 P
• Title of publication: C,C-Diacetylenic Phosphaalkenes as Heavy Diethynylethene Analogues
• Authors of publication: Öberg, Elisabet; Schäfer, Bernhard; Geng, Xue-Li; Pettersson, Jenny; Hu, Qi; Kritikos, Mikael; Rasmussen, Torben; Ott, Sascha
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Journal issue: 24
• Pages of publication: 9265 - 9273
• a: 8.7338 ± 0.001 Å
• b: 13.3618 ± 0.0017 Å
• c: 14.4726 ± 0.0019 Å
• α: 111.142 ± 0.015°
• β: 93.977 ± 0.015°
• γ: 92.936 ± 0.015°
• Cell volume: 1566.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1279
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No