Information card for entry 7105652

Structure parameters

• Formula: C38 H38 O
• Calculated formula: C38 H38 O
• SMILES: c12ccccc1C(=C(C(=C(c1c2cccc1)C)/C=C/c1ccccc1)/C=C/c1ccccc1)C.CCOCC
• Title of publication: Selective synthesis of dibenzo[a,c]cyclooctatetraenes via palladium-catalyzed [4+4] cyclic homocoupling of borylvinyl iodobenzene derivatives.
• Authors of publication: Zhang, Hui-jun; Wei, Junnian; Zhao, Fei; Liang, Yun; Wang, Zitao; Xi, Zhenfeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 39
• Pages of publication: 7439 - 7441
• a: 7.7703 ± 0.0016 Å
• b: 11.284 ± 0.002 Å
• c: 17.614 ± 0.004 Å
• α: 96.96 ± 0.03°
• β: 96.69 ± 0.03°
• γ: 99.11 ± 0.03°
• Cell volume: 1499.1 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No