Information card for entry 7125956

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: 7.9501 ± 0.0001 Å
• b: 17.9153 ± 0.0003 Å
• c: 19.455 ± 0.0002 Å
• α: 90°
• β: 100.437 ± 0.001°
• γ: 90°
• Cell volume: 2725.1 ± 0.06 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: 0.0317
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No