Information card for entry 2224121

Structure parameters

• Chemical name: Bis[2-(morpholinomethyl)phenyl]phenylphosphane
• Formula: C28 H33 N2 O2 P
• Calculated formula: C28 H33 N2 O2 P
• SMILES: c1(c(cccc1)CN1CCOCC1)P(c1c(cccc1)CN1CCOCC1)c1ccccc1
• Title of publication: Bis[2-(morpholinomethyl)phenyl]phenylphosphane
• Authors of publication: Covaci, Ancuta; Varga, Richard A.; Silvestru, Cristian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3158 - o3159
• a: 14.64 ± 0.007 Å
• b: 11.656 ± 0.005 Å
• c: 14.998 ± 0.007 Å
• α: 90°
• β: 101.95 ± 0.009°
• γ: 90°
• Cell volume: 2504 ± 2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.1567
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes