Information card for entry 7107884

Structure parameters

• Formula: C28 H29 Cl2 N3 O4
• Calculated formula: C28 H29 Cl2 N3 O4
• SMILES: c1(cccc(c1[C@H](C(=O)NC(C)(C)C)N1C(=O)C=C(c2c(C[C@H]1C(=O)OC)c1c(cccc1)[nH]2)C)Cl)Cl
• Title of publication: A concise route to indoloazocines via a sequential Ugi-gold-catalyzed intramolecular hydroarylation
• Authors of publication: Sachin G. Modha; Dipak D. Vachhani; Jeroen Jacobs; Luc Van Meervelt; Erik V. Van der Eycken
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6550
• a: 11.4032 ± 0.0007 Å
• b: 14.2768 ± 0.0008 Å
• c: 16.2935 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2652.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No