Information card for entry 7232441

Structure parameters

• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• Title of publication: Uncatalyzed, on water oxygenative cleavage of inert C‒N bond with concomitant 8,7-amino shift in 8-aminoquinoline derivatives
• Authors of publication: Botla, Vinayak; Pilli, NavyaSree; Malapaka, Chandrasekharam
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1735
• a: 11.954 ± 0.002 Å
• b: 7.454 ± 0.002 Å
• c: 15.468 ± 0.003 Å
• α: 90°
• β: 95.33 ± 0.03°
• γ: 90°
• Cell volume: 1372.3 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0749
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No