Information card for entry 1512167

Structure parameters

• Formula: C18 H12 N2 O
• Calculated formula: C18 H12 N2 O
• SMILES: O=c1n(c2c(nc1)c1c(cc2)cccc1)c1ccccc1
• 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: 5.4055 ± 0.0003 Å
• b: 9.6991 ± 0.0014 Å
• c: 12.7818 ± 0.0007 Å
• α: 90°
• β: 100.422 ± 0.007°
• γ: 90°
• Cell volume: 659.07 ± 0.11 ų
• Cell temperature: 291.88 ± 0.1 K
• Ambient diffraction temperature: 291.88 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No