Information card for entry 7154187

Structure parameters

• Chemical name: 5h
• Formula: C14 H14 N8 O4
• Calculated formula: C14 H14 N8 O4
• SMILES: O1C(=O)NCCC21C(N=N#N)(N=N#N)N(c1c2cccc1)C(=O)OCC
• Title of publication: A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.
• Authors of publication: Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 48
• Pages of publication: 9769 - 9772
• a: 13.41 ± 0.003 Å
• b: 6.5061 ± 0.0013 Å
• c: 18.689 ± 0.004 Å
• α: 90°
• β: 94.61 ± 0.03°
• γ: 90°
• Cell volume: 1625.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0634
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No