Information card for entry 2209691

Structure parameters

• Common name: (1,3;4,6-Di-O-benzylidene-2,5-dodeoxy-2,5-imino-L-iditol)-N-cinnamide
• Chemical name: 1,3:4,6-Di-O-benzylidene-2,5-dideoxy-2,5-imino-N-cinnamyl-L-iditol
• Formula: C29 H27 N O5
• Calculated formula: C29 H27 N O5
• SMILES: O=C(N1[C@@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@@H]2O[C@@H](OC[C@H]12)c1ccccc1)/C=C/c1ccccc1
• Title of publication: 1,3:4,6-Di-<i>O</i>-benzylidene-<i>N</i>-cinnamyl-2,5-dideoxy-2,5-imino-<small>L</small>-iditol
• Authors of publication: Yu, Chu-Yi; Fu, Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3115 - o3116
• a: 13.373 ± 0.005 Å
• b: 5.7653 ± 0.0018 Å
• c: 17.964 ± 0.006 Å
• α: 90°
• β: 98.653 ± 0.005°
• γ: 90°
• Cell volume: 1369.2 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes