Information card for entry 7105476

Structure parameters

• Formula: C30 H24
• Calculated formula: C30 H24
• SMILES: c1(ccc(cc1)C)C(=C1c2c(cccc2)C=C1c1ccc(cc1)C)c1ccccc1
• Title of publication: Rapid access to 1-methyleneindenes via palladium-catalyzed tandem reactions of 1-(2,2-dibromovinyl)-2-alkynylbenzenes with arylboronic acids.
• Authors of publication: Ye, Shengqing; Yang, Xiaodi; Wu, Jie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 2950 - 2952
• a: 14.9337 ± 0.0015 Å
• b: 9.7984 ± 0.001 Å
• c: 15.544 ± 0.0016 Å
• α: 90°
• β: 102.111 ± 0.001°
• γ: 90°
• Cell volume: 2223.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No