Information card for entry 7706320

Structure parameters

• Formula: C26 H30 N P
• Calculated formula: C26 H30 N P
• SMILES: P1(N(c2c(C(C)C)cccc2C(C)C)Cc2ccccc12)c1ccc(cc1)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: 10.1766 ± 0.0002 Å
• b: 20.7413 ± 0.0004 Å
• c: 11.3263 ± 0.0002 Å
• α: 90°
• β: 109.839 ± 0.001°
• γ: 90°
• Cell volume: 2248.82 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0377
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No