Information card for entry 7125957

Structure parameters

• Formula: C28 H29 B N6 O2 W
• Calculated formula: C28 H29 B N6 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: 7.9431 ± 0.0004 Å
• b: 17.7548 ± 0.0008 Å
• c: 19.9617 ± 0.0009 Å
• α: 90°
• β: 99.821 ± 0.004°
• γ: 90°
• Cell volume: 2773.9 ± 0.2 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: 0.0679
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No