Information card for entry 7155829

Structure parameters

• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• SMILES: O(C)c1ccc(cc1)C(=O)CNC(=O)c1ccc(OC)cc1
• Title of publication: Laser flash photolysis of nanocrystalline α-azido-p-methoxy-acetophenone
• Authors of publication: Sarkar, Sujan K.; Gatlin, DeVonna M; Das, Anushree; Loftin, Breyinn; Krause, Jeanette; Abe, Manabu; Gudmundsdottir , Anna
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 16.431 ± 0.003 Å
• b: 5.3912 ± 0.0009 Å
• c: 16.311 ± 0.003 Å
• α: 90°
• β: 94.01 ± 0.003°
• γ: 90°
• Cell volume: 1441.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0679
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No