Information card for entry 4036260

Structure parameters

• Formula: C28 H20
• Calculated formula: C28 H20
• SMILES: C\1(=C\c2ccccc2)C(=C(c2ccccc12)c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Benzofulvene Derivatives from Diarylacetylenes via Pd(II)-Catalyzed Alkyne-Directed C(sp(2))-H Bond Activation.
• Authors of publication: Guo, Biao; Zheng, Liyao; Zhang, Lei; Hua, Ruimao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 16
• Pages of publication: 8430 - 8434
• a: 10.913 ± 0.003 Å
• b: 19.779 ± 0.004 Å
• c: 10.148 ± 0.002 Å
• α: 90°
• β: 117.533 ± 0.011°
• γ: 90°
• Cell volume: 1942.4 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0863
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No