Information card for entry 7717158

Structure parameters

• Formula: C29 H43 N2 O6 P
• Calculated formula: C29 H43 N2 O6 P
• Title of publication: Accessing five- and seven-membered phosphorus-based heterocycles <i>via</i> cycloaddition reactions of azophosphines.
• Authors of publication: Calder, Ethan D. E.; Male, Louise; Jupp, Andrew R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 36
• Pages of publication: 15032 - 15039
• a: 8.7981 ± 0.0003 Å
• b: 38.1963 ± 0.0013 Å
• c: 9.2377 ± 0.0004 Å
• α: 90°
• β: 106.619 ± 0.004°
• γ: 90°
• Cell volume: 2974.7 ± 0.2 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No