Information card for entry 4069057

Structure parameters

• Formula: C33 H58.5 P3
• Calculated formula: C33 H58.529 P3
• SMILES: P12/C(P/C1=C(CC(C)(C)C)\C(C)(C)C)=C(\C(P=C2C(=C\C(C)(C)C)/C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Highly Unsaturated Phosphorus Compounds: Generation and Reactions on Both Multiple Bonds of Vinyl Phosphaalkyne†
• Authors of publication: Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Schiffhauer, Matthew F.; Davidson, Fredric; McEwen, Charles N.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2410
• a: 9.664 ± 0.004 Å
• b: 12.213 ± 0.004 Å
• c: 16.533 ± 0.006 Å
• α: 73.253 ± 0.006°
• β: 88.408 ± 0.006°
• γ: 67.193 ± 0.005°
• Cell volume: 1714.7 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1253
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No