Information card for entry 2000855

Structure parameters

• Formula: C15 H26 O4 S2
• Calculated formula: C15 H26 O4 S2
• SMILES: OC[C@@H]([C@H]1OC(=O)O[C@]1(C)C[C@H](C1(CC)SCCS1)C)C
• Title of publication: Structure of a protected C3-C10 subunit of erythromycin and its C8 epimer
• Authors of publication: Lynch, V. M.; Lee, W.-C.; Martin, S. F.; Davis, B. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1145 - 1148
• a: 6.46 ± 0.002 Å
• b: 8.917 ± 0.003 Å
• c: 15.616 ± 0.005 Å
• α: 83.6 ± 0.03°
• β: 83.41 ± 0.02°
• γ: 89.52 ± 0.02°
• Cell volume: 888 ± 0.5 ų
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No