Information card for entry 4030227

Structure parameters

• Formula: C34 H28
• Calculated formula: C34 H28
• SMILES: C(=C\C(=C(/C=C/c1ccccc1)\C=C\c1ccccc1)\C=C\c1ccccc1)/c1ccccc1
• Title of publication: Computational and synthetic studies with tetravinylethylenes.
• Authors of publication: Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 23
• Pages of publication: 11496 - 11507
• a: 13.4959 ± 0.0002 Å
• b: 7.435 ± 0.0001 Å
• c: 24.6097 ± 0.0003 Å
• α: 90°
• β: 93.1287 ± 0.0008°
• γ: 90°
• Cell volume: 2465.71 ± 0.06 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.081
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections: 0.1532
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9678
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No