Information card for entry 2221524

Structure parameters

• Chemical name: (5<i>E</i>)-Dimethyl 2-bromomethyl-5-cyclohexylimino-2-phenyl-2,5-dihydrofuran-3,4-dicarboxylate
• Formula: C21 H24 Br N O5
• Calculated formula: C21 H24 Br N O5
• SMILES: BrCC1(O/C(C(=C1C(=O)OC)C(=O)OC)=N\C1CCCCC1)c1ccccc1
• Title of publication: (5<i>E</i>)-Dimethyl 2-bromomethyl-5-cyclohexylimino-2-phenyl-2,5-dihydrofuran-3,4-dicarboxylate
• Authors of publication: Zonouzi, Afsaneh; Biniaz, Mojtaba; Rahmani, Hossein; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o751
• a: 16.8599 ± 0.0003 Å
• b: 7.2871 ± 0.0001 Å
• c: 17.4145 ± 0.0003 Å
• α: 90°
• β: 97.33 ± 0.001°
• γ: 90°
• Cell volume: 2122.06 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes