Information card for entry 7708362

Structure parameters

• Formula: C32 H30 B Br N6 O2 W
• Calculated formula: C32 H30 B Br N6 O2 W
• SMILES: [W]12([n]3n(c(C)cc3C)[BH](n3[n]2c(cc3C)C)n2[n]1c(cc2C)C)(#Cc1c2ccccc2c(Br)c2c1cccc2)(C#[O])C#[O]
• Title of publication: Symmetric and Non-symmetric Anthracen-diyl Bis(alkylidynes)
• Authors of publication: Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.4587 ± 0.0002 Å
• b: 11.4422 ± 0.0002 Å
• c: 13.8472 ± 0.0003 Å
• α: 77.296 ± 0.002°
• β: 83.66 ± 0.002°
• γ: 72.785 ± 0.002°
• Cell volume: 1542.29 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No