Information card for entry 2011489

Structure parameters

• Common name: tetracycline hydrochloride
• Chemical name: [(4S,4aS,5aS,6R,12aS)-2-aminohydroxymethylene-1,2,3,4,4a,5,5a,6,11,12a-decahydro-6,10,12,12a-tetrahydroxy-6-methyl-1,3,11-trioxonaphthacen-4-yl]dimethylammonium chloride
• Formula: C22 H25 Cl N2 O8
• Calculated formula: C22 H25 Cl N2 O8
• SMILES: [Cl-].Oc1cccc2[C@@](O)([C@H]3C[C@H]4[C@H]([NH+](C)C)C(=O)\C(=C(/O)N)C(=O)[C@@]4(O)C(=C3C(=O)c12)O)C
• Title of publication: Tetracycline hydrochloride: a synchrotron micro-crystal study
• Authors of publication: Clegg, William; Teat, Simon J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1343 - 1345
• a: 10.93 ± 0.0009 Å
• b: 12.7162 ± 0.0011 Å
• c: 15.7085 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2183.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• 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
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.6883 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes