Information card for entry 7155828

Structure parameters

• Formula: C9 H9 N3 O2
• Calculated formula: C9 H9 N3 O2
• SMILES: O=C(c1ccc(OC)cc1)CN=N#N
• 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: 3.8441 ± 0.0003 Å
• b: 14.0818 ± 0.0011 Å
• c: 8.2393 ± 0.0007 Å
• α: 90°
• β: 101.091 ± 0.005°
• γ: 90°
• Cell volume: 437.68 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No