Information card for entry 4064648

Structure parameters

• Formula: C26 H28
• Calculated formula: C26 H28
• SMILES: C(=C=C=C=C=C(C(C)(C)C)c1ccccc1)(C(C)(C)C)c1ccccc1
• Title of publication: Characterization of theEIsomer of Tetrasubstituted [5]Cumulene and Trapping of theZIsomer as a Zirconocene Complex
• Authors of publication: Suzuki, Noriyuki; Ohara, Nozomu; Nishimura, Kosuke; Sakaguchi, Yoshio; Nanbu, Shinkoh; Fukui, Sohei; Nagao, Hirotaka; Masuyama, Yoshiro
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 13
• Pages of publication: 3544
• a: 12.904 ± 0.012 Å
• b: 5.978 ± 0.005 Å
• c: 13.979 ± 0.013 Å
• α: 90°
• β: 112.655 ± 0.004°
• γ: 90°
• Cell volume: 995.1 ± 1.6 ų
• Cell temperature: 93.1 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 significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No