Information card for entry 2003602

Structure parameters

• Chemical name: Methyl 2-O-(Cyclohexylcarbamoyl)-6-deoxy-3,4-O- -(hexafluoroisopropylidene)-α-L-altropyranoside
• Formula: C43 H52 F24 N2 O15
• Calculated formula: C43 H52 F24 N2 O15
• SMILES: FC(F)(F)C1(O[C@@H]2[C@@H](OC(=O)NC3CCCCC3)[C@H](OC)O[C@H]([C@@H]2O1)C)C(F)(F)F.FC(F)(F)C1(O[C@@H]2[C@@H](OC(=O)NC3CCCCC3)[C@H](OC)O[C@H]([C@@H]2O1)C)C(F)(F)F.FC(F)(F)C(O)(C(F)(F)F)CC(=O)CC(O)(C(F)(F)F)C(F)(F)F
• Title of publication: The 2:1 Adduct of an α-<small>L</small>-Altropyranose Derivative with Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone at 173 K
• Authors of publication: Kopf, J.; Sheldrick, G.; Reinke, H.; Rentsch, D.; Miethchen, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1198 - 1201
• a: 11.623 ± 0.001 Å
• b: 20.861 ± 0.002 Å
• c: 12.57 ± 0.001 Å
• α: 90°
• β: 116.47 ± 0.01°
• γ: 90°
• Cell volume: 2728.3 ± 0.5 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections: 0.1284
• Weighted residual factors for significantly intense reflections: 0.1246
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No