Information card for entry 7706316

Structure parameters

• Formula: C19 H23 Cl N P
• Calculated formula: C19 H23 Cl N P
• SMILES: ClP1N(Cc2ccccc12)c1c(cccc1C(C)C)C(C)C
• 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: 11.7432 ± 0.0006 Å
• b: 10.4564 ± 0.0005 Å
• c: 15.0518 ± 0.0011 Å
• α: 90°
• β: 105.441 ± 0.003°
• γ: 90°
• Cell volume: 1781.52 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No