Information card for entry 2242998

Structure parameters

• Common name: <i>D</i>-Fructose-cycloleucine
• Chemical name: 1-[(1-Deoxy-β-<i>D</i>-fructopyranos-1-yl)azaniumyl]cyclopentanecarboxylate
• Formula: C12 H21 N O7
• Calculated formula: C12 H21 N O7
• SMILES: O[C@@]1(OC[C@@H](O)[C@@H](O)[C@@H]1O)C[NH2+]C1(CCCC1)C(=O)[O-]
• Title of publication: Multicentered hydrogen bonding in 1-[(1-deoxy-β-<small>D</small>-fructopyranos-1-yl)azaniumyl]cyclopentanecarboxylate (`<small>D</small>-fructose-cycloleucine')
• Authors of publication: Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• Pages of publication: 1096 - 1101
• a: 5.8052 ± 0.0003 Å
• b: 11.954 ± 0.0006 Å
• c: 9.6135 ± 0.0005 Å
• α: 90°
• β: 95.506 ± 0.001°
• γ: 90°
• Cell volume: 664.05 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0318
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes