Information card for entry 4088525

Structure parameters

• Formula: C38 H50 N P
• Calculated formula: C38 H50 N P
• SMILES: P(c1c(n2c3ccc(cc3c3c2ccc(c3)C(C)(C)C)C(C)(C)C)cccc1)(C1CCCCC1)C1CCCCC1
• Title of publication: Preparation of a Highly Congested Carbazoyl-Derived P,N-Type Phosphine Ligand for Acetone Monoarylations
• Authors of publication: Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 1553
• a: 13.98 ± 0.003 Å
• b: 18.462 ± 0.004 Å
• c: 13.002 ± 0.003 Å
• α: 90°
• β: 97.544 ± 0.007°
• γ: 90°
• Cell volume: 3326.8 ± 1.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 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: 0.1336
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No