Information card for entry 1555386

Structure parameters

• Formula: C25 H24 N4 O4
• Calculated formula: C25 H24 N4 O4
• SMILES: O=C(NC(c1ccccc1)c1ccccc1)CN(C)C(=O)/N=N/C(=O)OCc1ccccc1
• 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: 8.7914 ± 0.0004 Å
• b: 22.2498 ± 0.0011 Å
• c: 11.9566 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2338.79 ± 0.19 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No