Information card for entry 4518063

Structure parameters

• Formula: C19 H23 Br2 N3 O4
• Calculated formula: C19 H23 Br2 N3 O4
• Title of publication: Homoconjugated Acids as Low Cyclosiloxane-Producing Silanol Polycondensation Catalysts
• Authors of publication: Roberts, John M.; Belowich, Matthew E.; Peterson, Thomas H.; Bellinger, Edward; Syverud, Karin; Laitar, David S.; Sidle, Tobias
• Journal of publication: ACS Omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 38
• Pages of publication: 24954 - 24963
• a: 9.7284 ± 0.0006 Å
• b: 10.1848 ± 0.0006 Å
• c: 21.6633 ± 0.0013 Å
• α: 90°
• β: 95.2937 ± 0.0009°
• γ: 90°
• Cell volume: 2137.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No