Information card for entry 4085147

Structure parameters

• Formula: C26 H23 O8 Re
• Calculated formula: C26 H23 O8 Re
• SMILES: [Re]1(C(=C(C(=CC=1OCC)OCCC)C(=O)OC)c1cccc2ccccc12)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Rhenabenzenes and Unexpected Coupling Products from the Reactions of Rhenacyclobutadienes with Ethoxyethyne
• Authors of publication: Lin, Ran; Lee, Ka-Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 167
• a: 21.2127 ± 0.0007 Å
• b: 8.8364 ± 0.0002 Å
• c: 27.3229 ± 0.0009 Å
• α: 90°
• β: 106.562 ± 0.003°
• γ: 90°
• Cell volume: 4909 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No