Information card for entry 4085146

Structure parameters

• Formula: C30 H24 N O8 Re
• Calculated formula: C30 H24 N O8 Re
• SMILES: [Re]1(C(=C(C=1Nc1ccc(OC)cc1)/C(=C\C(=O)OCC)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: 8.9083 ± 0.0005 Å
• b: 10.5379 ± 0.0005 Å
• c: 14.6963 ± 0.0006 Å
• α: 83.227 ± 0.004°
• β: 79.64 ± 0.004°
• γ: 88.482 ± 0.004°
• Cell volume: 1347.63 ± 0.12 ų
• Cell temperature: 99.93 ± 0.16 K
• Ambient diffraction temperature: 99.93 ± 0.16 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No