Information card for entry 7706319

Structure parameters

• Formula: C38 H46 N2 O0.38 P2
• Calculated formula: C38 H46 N2 O0.382 P2
• Title of publication: P-Alkynyl functionalized benzazaphospholes as transmetalating agents.
• Authors of publication: Zhou, Daniel Y.; Miura-Akagi, Preston M; McCarty, Sierra M.; Guiles, Celeste H.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 599 - 611
• a: 11.6914 ± 0.0005 Å
• b: 12.0731 ± 0.0005 Å
• c: 13.1054 ± 0.0006 Å
• α: 95.1 ± 0.002°
• β: 94.213 ± 0.002°
• γ: 113.203 ± 0.002°
• Cell volume: 1681.56 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No