Information card for entry 7717159

Structure parameters

• Formula: C46 H74 N4 O4 P2
• Calculated formula: C46 H74 N4 O4 P2
• 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: 12.6315 ± 0.0001 Å
• b: 23.1136 ± 0.0002 Å
• c: 31.6638 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9244.55 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No