Information card for entry 4515536

Structure parameters

• Formula: C30 H27 N2 O4 P
• Calculated formula: C30 H27 N2 O4 P
• SMILES: P(=O)(Cc1n(c(=O)c2c(c1)cc(OC)cc2)c1n(=O)cccc1)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Electrooxidative Allene Annulations by Mild Cobalt-Catalyzed C‒H Activation
• Authors of publication: Meyer, Tjark H.; Oliveira, João C. A.; Sau, Samaresh Chandra; Ang, Nate W. J.; Ackermann, Lutz
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 9140
• a: 12.148 ± 0.0008 Å
• b: 10.6001 ± 0.0006 Å
• c: 19.4764 ± 0.0012 Å
• α: 90°
• β: 96.366 ± 0.002°
• γ: 90°
• Cell volume: 2492.5 ± 0.3 ų
• Cell temperature: 149.94 K
• Ambient diffraction temperature: 149.94 K
• Number of distinct elements: 5
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No