Information card for entry 7230389

Structure parameters

• Common name: Benzoxazole Derivatives
• Chemical name: ethyl (E)-3-(2-(5-bromo-2-hydroxyphenyl)-5-methylbenzo[d]oxazol-3(2H)-yl)acrylate
• Formula: C36 H28 Br0.5 N3 O12
• Calculated formula: C38 H36 Br2 N2 O8
• Title of publication: A distal vinyl shift (DVS) through quadruple domino reaction: synthesis of N-vinyl benzoheterocyclic scaffolds
• Authors of publication: Bakthadoss, Manickam; Mushaf, Mohammad
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 22
• Pages of publication: 12152
• a: 12.854 ± 0.0007 Å
• b: 9.8269 ± 0.0006 Å
• c: 14.2696 ± 0.0011 Å
• α: 90°
• β: 94.215 ± 0.005°
• γ: 90°
• Cell volume: 1797.6 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No