Information card for entry 1507464

Structure parameters

• Formula: C30 H22
• Calculated formula: C30 H22
• SMILES: C(#CC=C(c1ccccc1)c1ccccc1)C=C(c1ccccc1)c1ccccc1
• Title of publication: Increased Activity of in Situ Catalysts for Alkyne Metathesis
• Authors of publication: Brizius, Glen; Bunz, Uwe H. F.
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 17
• Pages of publication: 2829
• a: 10.9686 ± 0.0009 Å
• b: 5.7792 ± 0.0005 Å
• c: 16.9883 ± 0.0014 Å
• α: 90°
• β: 101.516 ± 0.002°
• γ: 90°
• Cell volume: 1055.21 ± 0.15 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 2
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No