Information card for entry 1545529

Structure parameters

• Formula: C27 H41 B N2 O P2
• Calculated formula: C27.0002 H41 B1.0002 N2 O1.0002 P2
• Title of publication: (Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles
• Authors of publication: Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 3720
• a: 12.9335 ± 0.0012 Å
• b: 20.866 ± 0.0018 Å
• c: 10.2861 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2775.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No