Information card for entry 7062664

Structure parameters

• Common name: jonrap11
• Formula: C23 H24 N3 O7 Re
• Calculated formula: C23 H24 N3 O7 Re
• SMILES: [Re]12(OCC34[N]1([C@H](OC3)c1ncccc1)[C@@H](OC4)c1[n]2cccc1)(C#[O])(C#[O])C#[O].O1CCCC1
• Title of publication: Synthesis, characterization, and structure determination of bis-oxazolidine complexes of rhenium
• Authors of publication: Pohorenec, Ryan A.; Brennessel, William W.; Jones, William D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 16872 - 16878
• a: 14.0841 ± 0.0001 Å
• b: 10.3503 ± 0.0001 Å
• c: 15.1725 ± 0.0001 Å
• α: 90°
• β: 96.051 ± 0.001°
• γ: 90°
• Cell volume: 2199.44 ± 0.03 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No