Information card for entry 7114541

Structure parameters

• Formula: C30 H36 N O7 P
• Calculated formula: C30 H36 N O7 P
• SMILES: P12(Oc3c(cc(cc3Cc3cc(cc(c3O1)C(C)(C)C)C)C)C(C)(C)C)=NC(=O)C(=C2C(=O)OC)C(=O)OC
• Title of publication: Novel reactions of phosphorus(iii) azides and isocyanates: unusual modes of cycloaddition with dipolarophiles and an unexpected case of ring expansionElectronic supplementary information (ESI) available: Platon diagrams with selected bond parameters for 4 and 6 and experimental details. See http://www.rsc.org/suppdata/cc/b1/b107087h/
• Authors of publication: Kumaraswamy, Sudha; Kommana, Praveen; Satish Kumar, N.; Kumara Swamy, K. C.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 1
• Pages of publication: 40
• a: 10.308 ± 0.003 Å
• b: 17.604 ± 0.004 Å
• c: 16.464 ± 0.003 Å
• α: 90°
• β: 107.14 ± 0.02°
• γ: 90°
• Cell volume: 2854.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No