Information card for entry 2202076

Structure parameters

• Chemical name: 8-[N-(tert-Butoxycarbonyl)-L-glycyl]quinolin-8-amine
• Formula: C16 H19 N3 O3
• Calculated formula: C16 H19 N3 O3
• SMILES: O=C(Nc1cccc2cccnc12)CNC(=O)OC(C)(C)C
• Title of publication: 8-[<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-<small>L</small>-glycyl]quinolin-8-amine
• Authors of publication: Ying Shao; Chao Tu; Junyong Zhang; Zijian Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o527 - o529
• a: 11.43 ± 0.002 Å
• b: 12.24 ± 0.002 Å
• c: 12.96 ± 0.003 Å
• α: 65.33 ± 0.03°
• β: 80.6 ± 0.03°
• γ: 69.44 ± 0.03°
• Cell volume: 1542.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes