Information card for entry 1544222

Structure parameters

• Formula: C25 H17 Cl N O P
• Calculated formula: C25 H17 Cl N O P
• SMILES: Clc1cc2c3c(c(P(=O)(c4ccccc4)c4ccccc4)nc2cc1)cccc3
• Title of publication: Visible-Light-Induced Cascade Reaction of Isocyanides and N-Arylacrylamides with Diphenylphosphine Oxide via Radical C-P and C-C Bond Formation.
• Authors of publication: Li, Chun-Xiao; Tu, De-Shuang; Yao, Rui; Yan, Hong; Lu, Chang-Sheng
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 4928 - 4931
• a: 13.831 ± 0.007 Å
• b: 16.046 ± 0.008 Å
• c: 9.43 ± 0.005 Å
• α: 90°
• β: 105.784 ± 0.008°
• γ: 90°
• Cell volume: 2013.9 ± 1.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No