Information card for entry 7024978

Structure parameters

• Formula: C27 H35 N2 P
• Calculated formula: C27 H35 N2 P
• SMILES: P(c1n(c2c3CCc4ccc(CCc(c2)cc3)cc4)ccn1)(C(C)(C)C)C(C)(C)C
• Title of publication: Planar-chiral imidazole-based phosphine ligands derived from [2.2]paracyclophane
• Authors of publication: Seacome, Richard J.; Coles, Martyn P.; Glover, Jean E.; Hitchcock, Peter B.; Rowlands, Gareth J.
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 15
• Pages of publication: 3687
• a: 8.45 ± 0.0006 Å
• b: 11.6495 ± 0.0009 Å
• c: 12.9271 ± 0.0008 Å
• α: 109.719 ± 0.004°
• β: 90.305 ± 0.005°
• γ: 98.638 ± 0.003°
• Cell volume: 1182.17 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0966
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No