Information card for entry 4034903

Structure parameters

• Formula: C34 H28 Cl4 N O2 P
• Calculated formula: C34 H28 Cl4 N O2 P
• SMILES: P(=O)(C(c1[nH]c2cc(Cl)ccc2c1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.O
• Title of publication: Lewis Acid-Controlled Regioselective Phosphorylation of 2-Indolylmethanols with Diarylphosphine Oxides: Synthesis of Highly Substituted Indoles.
• Authors of publication: Hu, Chen; Hong, Gang; He, Yuchen; Zhou, Chen; Kozlowski, Marisa C.; Wang, Limin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 8
• Pages of publication: 4739 - 4753
• a: 10.0969 ± 0.0003 Å
• b: 24.9962 ± 0.0007 Å
• c: 13.2961 ± 0.0004 Å
• α: 90°
• β: 110.034 ± 0.001°
• γ: 90°
• Cell volume: 3152.67 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No