Information card for entry 7155104

Structure parameters

• Formula: C24 H25 O5 P
• Calculated formula: C24 H25 O5 P
• SMILES: P1(=O)(OCC(CO1)(C)C)C(c1ccc2c(c1C(=O)OC)cccc2)c1ccccc1
• Title of publication: Regioselective carboannulation of electron-deficient allenes with dialkyl (2-formylphenyl)malonates leading to multisubstituted naphthalenes.
• Authors of publication: Koppanathi, Nagaraju; Swamy, K. C. Kumara
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 5079 - 5087
• a: 17.381 ± 0.003 Å
• b: 13.319 ± 0.002 Å
• c: 18.156 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4203.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No