Information card for entry 2219078

Structure parameters

• Chemical name: 3,3'-Dibromo-5,5'-bis[(<i>S</i>)-l-menthyloxy]-4,4'-(hexane-1,6- diyldiimino)difuran-2(5<i>H</i>)-one
• Formula: C34 H54 Br2 N2 O6
• Calculated formula: C34 H54 Br2 N2 O6
• SMILES: BrC1=C(NCCCCCCNC2=C(Br)C(=O)O[C@@H]2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[C@@H](O[C@H]2[C@H](C(C)C)CC[C@@H](C)C2)OC1=O
• Title of publication: 3,3'-Dibromo-5,5'-bis[(<i>S</i>)-<small>L</small>-menthyloxy]-4,4'-(hexane-1,6-diyldiimino)difuran-2(5<i>H</i>)-one
• Authors of publication: Wang, Zhao-Yang; Song, Xiu-Mei; Cai, Yue-Peng; Mao, Zheng-Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1642
• a: 8.2302 ± 0.0002 Å
• b: 9.1319 ± 0.0002 Å
• c: 12.7193 ± 0.0003 Å
• α: 105.037 ± 0.001°
• β: 93.214 ± 0.002°
• γ: 100.499 ± 0.002°
• Cell volume: 902.37 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes