Information card for entry 7001773

Structure parameters

• Formula: C21 H25 N2 P
• Calculated formula: C21 H25 N2 P
• SMILES: P(C1CCCCN2C1=NCCC2)(c1ccccc1)c1ccccc1
• Title of publication: Anion effect in the diastereoselective formation of bischelated Ni(II) complexes with a novel, chiral phosphine derived from 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)
• Authors of publication: O'Reilly, Matthew; Pattacini, Roberto; Braunstein, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 31
• Pages of publication: 6092
• a: 8.6126 ± 0.0005 Å
• b: 15.5139 ± 0.0014 Å
• c: 14.4029 ± 0.001 Å
• α: 90°
• β: 109.505 ± 0.004°
• γ: 90°
• Cell volume: 1814 ± 0.2 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: 0.1169
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No