Information card for entry 7007711

Structure parameters

• Formula: C26 H27 N2 P
• Calculated formula: C26 H27 N2 P
• SMILES: P(c1c(N(C)C)c2c(N(C)C)cccc2cc1)(c1ccccc1)c1ccccc1
• Title of publication: Proton sponge phosphines: electrospray-active ligands.
• Authors of publication: Farrer, Nicola J.; McDonald, Robert; McIndoe, J. Scott
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 38
• Pages of publication: 4570 - 4579
• a: 17.122 ± 0.0003 Å
• b: 10.1292 ± 0.0002 Å
• c: 25.3141 ± 0.0005 Å
• α: 90°
• β: 93.809 ± 0.001°
• γ: 90°
• Cell volume: 4380.58 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No