Information card for entry 7157930

Structure parameters

• Common name: tk287
• Formula: C18 H19 N9 O2
• Calculated formula: C18 H19 N9 O2
• Title of publication: Oxidative azidations of phenols and ketones using iodine azide after release from an ion exchange resin.
• Authors of publication: Kösel, Teresa; Dräger, Gerald; Kirschning, Andreas
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 2907 - 2911
• a: 6.7974 ± 0.0012 Å
• b: 13.92 ± 0.002 Å
• c: 9.9497 ± 0.0018 Å
• α: 90°
• β: 91.655 ± 0.006°
• γ: 90°
• Cell volume: 941 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No