Information card for entry 7102662

Structure parameters

• Formula: C40 H28 O P2
• Calculated formula: C40 H28 O P2
• SMILES: P1(C(=C(P(C1=C1c2ccccc2Oc2ccccc12)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Titanocene and zirconocene complexes of a phosphorus analog of an Arduengo's carbene: application in the synthesis of 1,3-diphosphafulvenes.
• Authors of publication: Cantat, Thibault; Mézailles, Nicolas; Maigrot, Nicole; Ricard, Louis; Le Floch, Pascal
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 11
• Pages of publication: 1274 - 1275
• a: 9.324 ± 0.001 Å
• b: 17.429 ± 0.001 Å
• c: 19.246 ± 0.001 Å
• α: 101.24 ± 0.001°
• β: 96.96 ± 0.001°
• γ: 98.77 ± 0.001°
• Cell volume: 2994.8 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No