Information card for entry 1519220

Structure parameters

• Formula: C44 H50 N O10 Re
• Calculated formula: C44 H50 N O10 Re
• SMILES: [Re]1(C#[O])([N](=Cc2c1cc(OC(=O)CCCCCCCCC)cc2)c1ccc(OC(=O)c2ccc(OC(=O)CCCCCCCCC)cc2)cc1)(C#[O])(C#[O])C#[O]
• Title of publication: C44H50NO10Re
• Authors of publication: Bruce, Duncan W.; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 740
• a: 7.732 ± 0.0004 Å
• b: 9.8233 ± 0.0004 Å
• c: 56.321 ± 0.002 Å
• α: 90°
• β: 92.402 ± 0.001°
• γ: 90°
• Cell volume: 4274 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No