Information card for entry 7125952

Structure parameters

• Formula: C50 H52 B2 N12 O4 W2
• Calculated formula: C50 H52 B2 N12 O4 W2
• 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: 13.8341 ± 0.0004 Å
• b: 10.1106 ± 0.0003 Å
• c: 20.5773 ± 0.0006 Å
• α: 90°
• β: 106.771 ± 0.003°
• γ: 90°
• Cell volume: 2755.75 ± 0.15 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No