Information card for entry 7160059

Structure parameters

• Formula: C18 H17 Br N4 O2
• Calculated formula: C18 H17 Br N4 O2
• Title of publication: Copper(II)-catalyzed, site-selective C(sp)²-H amination using 8-aminoimidazo[1,2-<i>a</i>]pyridine (8-AIP) as a directing group.
• Authors of publication: Hajra, Arun Kumar; Ghosh, Prasanjit; Roy, Chandrayee; Kundu, Mrinalkanti; Ghosh, Shibaji; Das, Sajal
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 32
• Pages of publication: 6617 - 6630
• a: 10.207 ± 0.0007 Å
• b: 12.3855 ± 0.0008 Å
• c: 13.552 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1713.23 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No