Information card for entry 7243400

Structure parameters

• Formula: C23 H19 Br N2 O2
• Calculated formula: C23 H19 Br N2 O2
• SMILES: Brc1c(c2[nH]c(c(n2)c2ccccc2)c2ccccc2)cc(OC)c(OC)c1
• Title of publication: TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions
• Authors of publication: Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 45
• Pages of publication: 28061 - 28071
• a: 9.2089 ± 0.0002 Å
• b: 19.8306 ± 0.0003 Å
• c: 10.4519 ± 0.0002 Å
• α: 90°
• β: 101.492 ± 0.001°
• γ: 90°
• Cell volume: 1870.44 ± 0.06 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No