Information card for entry 4033882

Structure parameters

• Formula: C26 H21 Br N2 O2
• Calculated formula: C26 H21 Br N2 O2
• Title of publication: Isoxazole Strategy for the Synthesis of α-Aminopyrrole Derivatives.
• Authors of publication: Galenko, Ekaterina E.; Linnik, Stanislav A.; Khoroshilova, Olesya V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 17
• Pages of publication: 11275 - 11285
• a: 10.1197 ± 0.0001 Å
• b: 10.5071 ± 0.0001 Å
• c: 21.9497 ± 0.0002 Å
• α: 93.92 ± 0.001°
• β: 95.141 ± 0.001°
• γ: 106.474 ± 0.001°
• Cell volume: 2218.3 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No