Information card for entry 7132296

Structure parameters

• Formula: C44 H47 N O2 W
• Calculated formula: C44 H47 N O2 W
• SMILES: [W]12(Oc3c(c4cc(c5cccc(C(C)(C)C)c5O1)ccc4)cccc3C(C)(C)C)(=Nc1ccccc1)[C](#[C]2C(C)(C)C)c1ccccc1
• Title of publication: A case of alkylidyne-imine metathesis.
• Authors of publication: Yadav, Rinku; Ghiviriga, Ion; Abboud, Khalil K.; Veige, Adam S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 86
• Pages of publication: 12899 - 12902
• a: 9.3557 ± 0.0005 Å
• b: 11.8178 ± 0.0005 Å
• c: 16.8483 ± 0.0009 Å
• α: 101.459 ± 0.001°
• β: 91.875 ± 0.001°
• γ: 99.739 ± 0.002°
• Cell volume: 1795.12 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No