Information card for entry 7114542

Structure parameters

• Formula: C40 H53 N2 O8 P
• Calculated formula: C40 H53 N2 O8 P
• SMILES: P12(Oc3c(cc(cc3Cc3cc(cc(c3O1)C(C)(C)C)C)C)C(C)(C)C)OCCN([C@H]([C@@H](C(=O)N=2)C(=O)OC)C(=O)OC)C.Cc1ccccc1.P12(Oc3c(cc(cc3Cc3cc(cc(c3O1)C(C)(C)C)C)C)C(C)(C)C)OCCN([C@@H]([C@H](C(=O)N=2)C(=O)OC)C(=O)OC)C.Cc1ccccc1
• 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: 11.792 ± 0.007 Å
• b: 12.58 ± 0.007 Å
• c: 15.162 ± 0.009 Å
• α: 110.66 ± 0.06°
• β: 103.36 ± 0.07°
• γ: 90.53 ± 0.07°
• Cell volume: 2037 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No