Information card for entry 2000789

Structure parameters

• Formula: C10 H18 N2 O3
• Calculated formula: C10 H18 N2 O3
• SMILES: O=C1N[C@@H](CCCCCC(=O)O)[C@H](N1)C.O=C1N[C@H](CCCCCC(=O)O)[C@@H](N1)C
• Title of publication: Structure of <small>DL</small>-desthiobiotin
• Authors of publication: Okabe, N.; Tatsumi, M.; Sasaki, Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 7
• Pages of publication: 1326 - 1327
• a: 9.149 ± 0.002 Å
• b: 10.934 ± 0.001 Å
• c: 12.064 ± 0.001 Å
• α: 90°
• β: 93.14 ± 0.01°
• γ: 90°
• Cell volume: 1205 ± 0.3 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No