Information card for entry 1542895

Structure parameters

• Common name: YR5
• Formula: C34.5 H21.5 Cl1.5 N2 O P
• Calculated formula: C34.5 H21.5 Cl1.5 N2 O P
• Title of publication: [d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines
• Authors of publication: Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 4211
• a: 11.925 ± 0.005 Å
• b: 12.375 ± 0.006 Å
• c: 18.662 ± 0.009 Å
• α: 87.764 ± 0.014°
• β: 76.46 ± 0.009°
• γ: 83.562 ± 0.01°
• Cell volume: 2660 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No