Information card for entry 7064110

Structure parameters

• Formula: C66 H72 O15 P2
• Calculated formula: C66 H72 O15 P2
• Title of publication: Cs2CO3-mediated ring-opening reactions of nitrocyclopropanes via in situ generated allenes with phosphite triesters: stereoselective construction of (E)-vinylphosphonates
• Authors of publication: Wei, Jian-Sheng; Du, Xiu-Ru; Du, Zhi-Qiang; Zhong, Ling-Yi; Ma, Ao-Qiang; Wang, Jian; Xia, Ai-Bao; Xu, Dan-Qian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 19945 - 19949
• a: 8.4069 ± 0.0003 Å
• b: 9.1212 ± 0.0003 Å
• c: 20.3453 ± 0.0008 Å
• α: 91.437 ± 0.001°
• β: 100.122 ± 0.002°
• γ: 97.326 ± 0.001°
• Cell volume: 1521.48 ± 0.1 ų
• Cell temperature: 205.3 K
• Ambient diffraction temperature: 205.3 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No