Information card for entry 7052229

Structure parameters

• Formula: C30 H42 Cl N2 O6 P S
• Calculated formula: C30 H42 Cl N2 O6 P S
• SMILES: [P]123([S](c4c(O2)c(cc(c4)C)C(C)(C)C)c2c(O1)c(cc(c2)C)C(C)(C)C)(Cl)OC(OC(C)C)=NN3C(=O)OC(C)C
• Title of publication: Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds
• Authors of publication: Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 717
• a: 10.4788 ± 0.0007 Å
• b: 10.866 ± 0.0007 Å
• c: 16.3413 ± 0.0011 Å
• α: 92.567 ± 0.001°
• β: 103.112 ± 0.001°
• γ: 111.997 ± 0.001°
• Cell volume: 1662.8 ± 0.19 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No