Information card for entry 2006083

Structure parameters

• Chemical name: (3R),(2'S)-2'-N-Dibenzylamino-1,2:5,6-diisopropylidène-α-D-allofuranos-3- spiro-β-propiolactone
• Formula: C28 H33 N O7
• Calculated formula: C28 H33 N O7
• SMILES: O=C1O[C@@]2([C@@H]1N(Cc1ccccc1)Cc1ccccc1)[C@H]1OC(O[C@H]1O[C@@H]2[C@H]1COC(O1)(C)C)(C)C
• Title of publication: (3<i>R</i>,2'<i>S</i>)-2'-<i>N</i>-Dibenzylamino-1,2:5,6-di-<i>O</i>-isopropylidène-α-<small>D</small>-allofuranose-3-spiro-3'-β-propiolactone
• Authors of publication: Chiaroni, A.; Riche, C.; Bouifraden, S.; Lavergne, J.-P.; Viallefont, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 457 - 459
• a: 32.156 ± 0.013 Å
• b: 7.114 ± 0.002 Å
• c: 12.118 ± 0.006 Å
• α: 90°
• β: 101.47 ± 0.06°
• γ: 90°
• Cell volume: 2717 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.072
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No