Information card for entry 4135353

Structure parameters

• Formula: C23 H36.5 N0.5 O2.5 Si1.5 Ti1.5
• Calculated formula: C23 H36.5 N0.5 O2.5 Si1.5 Ti1.5
• Title of publication: Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.
• Authors of publication: Hu, Shaowei; Shima, Takanori; Hou, Zhaomin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 47
• Pages of publication: 19889 - 19894
• a: 8.7584 ± 0.0015 Å
• b: 14.858 ± 0.002 Å
• c: 20.54 ± 0.004 Å
• α: 70.651 ± 0.005°
• β: 86.515 ± 0.006°
• γ: 78.122 ± 0.006°
• Cell volume: 2467.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.14
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No