Information card for entry 7022343

Structure parameters

• Formula: C24 H19 Br N3 O6 Re S
• Calculated formula: C24 H19 Br N3 O6 Re S
• SMILES: [Re]1(Br)([n]2ccccc2C=[N]1c1ccc(CC(=O)NS(=O)(=O)c2ccc(cc2)C)cc1)(C#[O])(C#[O])C#[O]
• Title of publication: Schiff plus click: one-pot preparation of triazole-substituted iminopyridines and ring opening of the triazole ring.
• Authors of publication: Álvarez, Celedonio M; García-Escudero, Luis A; García-Rodríguez, Raúl; Miguel, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2556 - 2561
• a: 12.04 ± 0.003 Å
• b: 13.482 ± 0.003 Å
• c: 17.438 ± 0.004 Å
• α: 71.621 ± 0.004°
• β: 88.961 ± 0.004°
• γ: 77.24 ± 0.004°
• Cell volume: 2615.8 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1708
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No