Information card for entry 7110479

Structure parameters

• Formula: C20 H20
• Calculated formula: C20 H20
• SMILES: C1(=C(C)C)C#CC#CC(=C(C)C)C#CCCCCC#C1
• Title of publication: Cyclic alkynes‒electronic behaviour as a function of ring strain
• Authors of publication: Tykwinski, Rik R.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 905
• a: 9.2119 ± 0.0008 Å
• b: 12.5305 ± 0.0012 Å
• c: 14.5747 ± 0.001 Å
• α: 90°
• β: 107.744 ± 0.007°
• γ: 90°
• Cell volume: 1602.3 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 2
• 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: 0.1618
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections: 0.2012
• Weighted residual factors for significantly intense reflections: 0.1549
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No