Information card for entry 2224487

Structure parameters

• Chemical name: [2-(4-Methylpiperazin-1-ylmethyl)phenyl]diphenylphosphane
• Formula: C24 H27 N2 P
• Calculated formula: C24 H27 N2 P
• SMILES: c1(c(cccc1)CN1CCN(CC1)C)P(c1ccccc1)c1ccccc1
• Title of publication: [2-(4-Methylpiperazin-1-ylmethyl)phenyl]diphenylphosphane
• Authors of publication: Covaci, Ancuţa; Raţ, Ciprian I.; Silvestru, Cristian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3193
• a: 9.3689 ± 0.001 Å
• b: 14.6735 ± 0.0016 Å
• c: 15.4362 ± 0.0016 Å
• α: 90°
• β: 100.849 ± 0.002°
• γ: 90°
• Cell volume: 2084.2 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.116
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes