Information card for entry 7022342

Structure parameters

• Formula: C27 H24 Cl Mo N5 O2
• Calculated formula: C27 H24 Cl Mo N5 O2
• SMILES: [Mo]123(Cl)([n]4ccccc4C=[N]1c1cc(c4nnn(c4)Cc4ccccc4)ccc1)(C#[O])(C#[O])[CH2]=[C]2(C3)C
• 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: 9.13 ± 0.003 Å
• b: 9.212 ± 0.004 Å
• c: 15.212 ± 0.006 Å
• α: 90°
• β: 97.672 ± 0.006°
• γ: 90°
• Cell volume: 1268 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No