Information card for entry 7151577

Structure parameters

• Common name: (S)-(-)-3-Hydroxy-4,5,6,7-tetrahydroisoxazolo(5,4-c)-pyridine- 5-carboxylic acid ((S)-(-)-5-HPCA)
• Chemical name: (S)-(-)-3-Hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]- pyridine-5-carboxylic acid [(S)-(-)-5-HPCA]
• Formula: C7 H10 N2 O5
• Calculated formula: C7 H10 N2 O5
• SMILES: o1nc(c2C[C@H]([NH2+]Cc12)C(=O)[O-])O.O
• Title of publication: A stereochemical anomaly: the cyclised (R)-AMPA analogue (R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid [(R)-5-HPCA] resembles (S)-AMPA at glutamate receptors.
• Authors of publication: Vogensen, Stine B.; Greenwood, Jeremy R.; Varming, Annemarie R.; Brehm, Lotte; Pickering, Darryl S.; Nielsen, Birgitte; Liljefors, Tommy; Clausen, Rasmus P.; Johansen, Tommy N.; Krogsgaard-Larsen, Povl
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 206 - 213
• a: 6.9444 ± 0.0011 Å
• b: 6.4862 ± 0.001 Å
• c: 9.16 ± 0.002 Å
• α: 90°
• β: 99.437 ± 0.014°
• γ: 90°
• Cell volume: 407.01 ± 0.13 ų
• Ambient diffraction temperature: 110 ± 0.5 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: 0.0219
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for all reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0287
• Weighted residual factors for all reflections included in the refinement: 0.0287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0663
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No