Information card for entry 1512170

Structure parameters

• Formula: C11 H10 N2 O4
• Calculated formula: C11 H10 N2 O4
• SMILES: O(C(=O)C1=CC(=O)C=CC21N(C(=O)C=N2)C)C
• Title of publication: Photoinduced and N-Bromosuccinimide-Mediated Cyclization of 2-Azido-N-phenylacetamides.
• Authors of publication: Li, Zhan-Shan; Wang, Wei-Xia; Yang, Ji-Dong; Wu, Yue-Wei; Zhang, Wei
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 3820 - 3823
• a: 7.2524 ± 0.0011 Å
• b: 10.756 ± 0.002 Å
• c: 14.1658 ± 0.0019 Å
• α: 90°
• β: 96.02 ± 0.015°
• γ: 90°
• Cell volume: 1098.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2579
• Residual factor for significantly intense reflections: 0.183
• Weighted residual factors for significantly intense reflections: 0.4421
• Weighted residual factors for all reflections included in the refinement: 0.5458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.495
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No