Information card for entry 7102529

Structure parameters

• Common name: Triphenyl-phosphabarrelen (4a)
• Chemical name: Triphenyl-phosphabarrelen (4a)
• Formula: C29 H21 P
• Calculated formula: C29 H21 P
• SMILES: P12C(=CC(C=C1c1ccccc1)(c1c2cccc1)c1ccccc1)c1ccccc1
• Title of publication: Phosphabarrelene-rhodium complexes as highly active catalysts for isomerization free hydroformylation of internal alkenes.
• Authors of publication: Breit, Bernhard; Fuchs, Evelyn
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 694 - 695
• a: 7.3015 ± 0.0001 Å
• b: 18.5002 ± 0.0003 Å
• c: 31.4241 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4244.74 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No