Information card for entry 7706321

Structure parameters

• Formula: C27 H28 N P
• Calculated formula: C27 H28 N P
• SMILES: P1(N(c2c(C(C)C)cccc2C(C)C)Cc2c1cccc2)C#Cc1ccccc1
• 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: 8.4342 ± 0.0005 Å
• b: 10.7526 ± 0.0006 Å
• c: 14.1948 ± 0.0008 Å
• α: 97.641 ± 0.002°
• β: 103.063 ± 0.002°
• γ: 90.538 ± 0.002°
• Cell volume: 1241.83 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No