Information card for entry 8100074

Structure parameters

• Formula: C12 H22 Cl N O4
• Calculated formula: C12 H22 Cl N O4
• SMILES: [Cl-].O1C[C@@H](OC21CCCCC2)[C@@H]([NH2+]C)CC(=O)O
• Title of publication: Crystal structure of (3S,4S)-4,5-O-cyclohexylidene-4,5-dihydroxy-3- methylamino-pentanoic acid hydrochloride, (C~12~H~22~NO~4~)Cl
• Authors of publication: Frey, Wolfgang; Henneböhle, Marco; Jäger, Volker
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 2
• Pages of publication: 193 - 194
• a: 6.2327 ± 0.0003 Å
• b: 7.936 ± 0.0003 Å
• c: 14.1536 ± 0.0005 Å
• α: 90°
• β: 99.709 ± 0.004°
• γ: 90°
• Cell volume: 690.05 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No