Information card for entry 1555388

Structure parameters

• Formula: C34 H34 N4 O4
• Calculated formula: C34 H34 N4 O4
• SMILES: C(NC(=O)[C@H]1N(C(=O)NN(C(=O)OCc2ccccc2)C2C=CC=CC=C2)CCC1)(c1ccccc1)c1ccccc1
• Title of publication: Azopeptides: Synthesis and Pericyclic Chemistry.
• Authors of publication: Chingle, Ramesh; Lubell, William D.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5400 - 5403
• a: 10.2983 ± 0.0004 Å
• b: 10.6899 ± 0.0005 Å
• c: 13.1072 ± 0.0006 Å
• α: 90°
• β: 94.794 ± 0.003°
• γ: 90°
• Cell volume: 1437.89 ± 0.11 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No