Information card for entry 1558262

Structure parameters

• Formula: C45 H39 Co N2 O5 P
• Calculated formula: C45 H39 Co N2 O5 P
• Title of publication: Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.
• Authors of publication: Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 23
• Pages of publication: 6085 - 6096
• a: 10.53544 ± 0.00014 Å
• b: 12.59025 ± 0.00016 Å
• c: 15.1966 ± 0.0002 Å
• α: 79.8711 ± 0.0012°
• β: 86.4335 ± 0.0012°
• γ: 78.999 ± 0.0011°
• Cell volume: 1947 ± 0.05 ų
• Cell temperature: 155 ± 0.1 K
• Ambient diffraction temperature: 155 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No