Information card for entry 7106354

Structure parameters

• Formula: C48 H53 N2 O7 P
• Calculated formula: C48 H53 N2 O7 P
• SMILES: P1(=O)(Oc2c(cc(cc2Cc2cc(cc(c2O1)C(C)(C)C)C)C)C(C)(C)C)C1c2c(C3=C1Cc1c(C3(C(=O)OC)C(=O)OC)cccc1)cccc2.N#CC.N#CC
• Title of publication: To stay as allene or go further? Synthesis of novel phosphono-heterocycles and polycyclics via propargyl alcohols
• Authors of publication: Venu Srinivas; K. V. Sajna; K. C. Kumara Swamy
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5629
• a: 9.7058 ± 0.0015 Å
• b: 14.241 ± 0.002 Å
• c: 16.63 ± 0.002 Å
• α: 69.432 ± 0.014°
• β: 84.421 ± 0.013°
• γ: 76.489 ± 0.014°
• Cell volume: 2092.2 ± 0.6 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: 0.0819
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No