Information card for entry 1543979

Structure parameters

• Common name: JBM-367
• Formula: C19 H15 N3 O
• Calculated formula: C19 H15 N3 O
• SMILES: O=C(Nc1c(/N=N/c2ccccc2)cccc1)c1ccccc1
• Title of publication: Selective Rhodium-Catalyzed C‒H Amidation of Azobenzenes with Dioxazolones under Mild Conditions
• Authors of publication: Jeon, Bomi; Yeon, Uiseong; Son, Jeong-Yu; Lee, Phil Ho
• Journal of publication: Organic Letters
• Year of publication: 2016
• a: 17.259 ± 0.002 Å
• b: 4.9915 ± 0.0006 Å
• c: 18.893 ± 0.002 Å
• α: 90°
• β: 111.712 ± 0.004°
• γ: 90°
• Cell volume: 1512.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1369
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No