Information card for entry 2000527

Structure parameters

• Formula: C12 H22 Cl N O3
• Calculated formula: C12 H22 Cl N O3
• Title of publication: Structure du chlorhydrate de (1<i>R</i>,2<i>S</i>)(3-hydroxy-3-<i>m</i>-hydroxyphényl-2-propyl)triméthylammonium monohydrate
• Authors of publication: Dupont, L.; Dideberg, O.; Pardon, M. C.; Piette, J. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 1804 - 1806
• a: 9.821 ± 0.001 Å
• b: 10.222 ± 0.003 Å
• c: 13.871 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1392.5 ± 0.4 ų
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No