Information card for entry 4101145

Structure parameters

• Formula: C11 H16 B N O4 S
• Calculated formula: C11 H16 B N O4 S
• SMILES: s1c(c(cc1)B(O)O)CN1C(CCC1)C(=O)OC
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 10.1148 ± 0.0002 Å
• b: 8.9482 ± 0.0002 Å
• c: 14.6993 ± 0.0003 Å
• α: 90°
• β: 99.35 ± 0.001°
• γ: 90°
• Cell volume: 1312.75 ± 0.05 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No