Information card for entry 7125954

Structure parameters

• Formula: C34 H34 B N7 O2 W
• Calculated formula: C34 H34 B N7 O2 W
• Title of publication: Bi- and poly(carbyne) functionalised polycyclic aromatics.
• Authors of publication: Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 22
• Pages of publication: 3265 - 3268
• a: 10.2667 ± 0.0004 Å
• b: 23.1598 ± 0.0012 Å
• c: 13.5771 ± 0.0006 Å
• α: 90°
• β: 92.406 ± 0.004°
• γ: 90°
• Cell volume: 3225.4 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No