Information card for entry 4320476

Structure parameters

• Common name: Ligpo(1)
• Formula: C19 H24 N2 O3.5 P
• Calculated formula: C19 H24 N2 O3.5 P
• SMILES: P(=O)(OCCn1nc(cc1C)C)(c1ccccc1)c1ccccc1.O.O
• Title of publication: Tethered Pyrazolyl Phosphinate: Pyrazolyl-N- and Phosphoryl-O-Metal Coordination in Ph2P(O){OCH2CH2(3,5-Me2Pz)}
• Authors of publication: Savariraj Kingsley; Vadapalli Chandrasekhar; Christopher D. Incarvito; Matthew K. Lam; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5890 - 5896
• a: 21.897 ± 0.005 Å
• b: 10.009 ± 0.002 Å
• c: 19.147 ± 0.009 Å
• α: 90°
• β: 111.4 ± 0.03°
• γ: 90°
• Cell volume: 3907 ± 2 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No