Information card for entry 7151625

Structure parameters

• Formula: C14 H25 N O5
• Calculated formula: C14 H25 N O5
• SMILES: N1(C[C@@H]([C@H](C1)[C@@H]1COC(O1)(C)C)O)C(=O)OC(C)(C)C.N1(C[C@H]([C@@H](C1)[C@H]1COC(O1)(C)C)O)C(=O)OC(C)(C)C
• Title of publication: Synthesis and biological evaluation of new inhibitors of UDP-Galf transferase‒a key enzyme in M. tuberculosis cell wall biosynthesis.
• Authors of publication: Cren, Sylvaine; Gurcha, Sudagar S.; Blake, Alexander J.; Besra, Gurdyal S.; Thomas, Neil R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 17
• Pages of publication: 2418 - 2420
• a: 14.668 ± 0.002 Å
• b: 5.7076 ± 0.0008 Å
• c: 18.373 ± 0.003 Å
• α: 90°
• β: 95.266 ± 0.003°
• γ: 90°
• Cell volume: 1531.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No