Information card for entry 7158678

Structure parameters

• Formula: C29 H20 N O3 P
• Calculated formula: C29 H20 N O3 P
• SMILES: P(=O)(c1c(O)c2c(c3oc(nc13)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1
• Title of publication: One-pot synthesis of phosphorylnaphth[2,1-<i>d</i>]oxazoles and products as P,N-ligands in C-N and C-C formation.
• Authors of publication: Peng, Lingteng; Hu, Zhifang; Zhao, Yanting; Peng, Lifen; Xu, Zhi; Yin, Shuang-Feng; Tang, Zilong; Qiu, Renhua; Kambe, Nobuaki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 20
• Pages of publication: 4110 - 4114
• a: 10.5429 ± 0.0011 Å
• b: 10.9205 ± 0.001 Å
• c: 11.7539 ± 0.0012 Å
• α: 65.707 ± 0.01°
• β: 75.725 ± 0.009°
• γ: 64.564 ± 0.01°
• Cell volume: 1109.9 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No