Information card for entry 7024979

Structure parameters

• Formula: C31 H39 N2 P
• Calculated formula: C31 H39 N2 P
• SMILES: P(c1n(c2c3CCc4ccc(CCc(c2)cc3)cc4)ccn1)(C1CCCCC1)C1CCCCC1
• 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: 10.7792 ± 0.0003 Å
• b: 15.7625 ± 0.0008 Å
• c: 15.3052 ± 0.0007 Å
• α: 90°
• β: 97.193 ± 0.003°
• γ: 90°
• Cell volume: 2580 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1847
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No