Information card for entry 4304437

Structure parameters

• Formula: C29 H42 N3 O6 P
• Calculated formula: C29 H42 N3 O6 P
• SMILES: P12(=O)C(N3CN(C1)CN(C2)C3)C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1.O1CCCC1.O1CCCC1
• Title of publication: Insertion of CO2, Ketones, and Aldehydes into the C-Li Bond of 1,3,5-Triaza-7-phosphaadamantan-6-yllithium
• Authors of publication: Gene W. Wong; Wei-Chih Lee; Brian J. Frost
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 612 - 620
• a: 11.7005 ± 0.0002 Å
• b: 11.7013 ± 0.0002 Å
• c: 12.9305 ± 0.0002 Å
• α: 63.321 ± 0.001°
• β: 82.192 ± 0.001°
• γ: 62.527 ± 0.001°
• Cell volume: 1397.78 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No