Information card for entry 4026021

Structure parameters

• Formula: C29 H35 O12 P
• Calculated formula: C29 H35 O12 P
• SMILES: P1(=O)(OCC(CO1)(C)C)C(c1c(c(c(c(c1C(=O)OC)C(=O)OC)/C=C/C)C(=O)OC)C(=O)OC)c1ccccc1.O
• Title of publication: Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene
• Authors of publication: K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 920 - 938
• a: 14.9743 ± 0.0008 Å
• b: 10.9942 ± 0.0006 Å
• c: 18.6852 ± 0.001 Å
• α: 90°
• β: 91.759 ± 0.001°
• γ: 90°
• Cell volume: 3074.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No