Information card for entry 2000159

Structure parameters

• Formula: C26 H28 N2 O10
• Calculated formula: C26 H28 N2 O10
• SMILES: CC(C[C@@H]1C(=O)O[C@@H]([C@H]([C@@H]1OC(c1cc(cc(c1)N(=O)=O)N(=O)=O)=O)C)[C@H](COCc1ccccc1)C)=O.CC(C[C@H]1C(=O)O[C@H]([C@@H]([C@H]1OC(c1cc(cc(c1)N(=O)=O)N(=O)=O)=O)C)[C@@H](COCc1ccccc1)C)=O
• Title of publication: Structure of a lactone, 2,4,6-trideoxy-4,6-dimethyl-2-(oxopropyl)-7-<i>O</i>-(phenylmethyl)-<small>L</small>-<i>glycero</i>-<small>D</small>-<i>manno</i>-heptono-1,5-lactone 3-(3,5-dinitrobenzoate)
• Authors of publication: Ammon, H. L.; DeShong, P.; Simpson, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 2693 - 2695
• a: 9.524 ± 0.001 Å
• b: 11.8187 ± 0.0008 Å
• c: 12.615 ± 0.001 Å
• α: 66.512 ± 0.007°
• β: 83.321 ± 0.009°
• γ: 88.758 ± 0.008°
• Cell volume: 1293 ± 0.2 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No