Information card for entry 8101129

Structure parameters

• Formula: C11 H15 Cl F N O
• Calculated formula: C11 H15 Cl F N O
• SMILES: C1(C[C@@H](c2c(ccc(c2)F)O1)[NH3+])(C)C.[Cl-]
• Title of publication: Crystal structure of (S)-(+)-6-fluoro-3,4-dihydro-2,2-dimethyl-2H- 1-benzpyran-4-ammonium chloride, [(CH~3~)~2~(C~9~OH~6~)F(NH~3~)]Cl
• Authors of publication: Paulus, E. F.; Burgard, A.; Lang, H.-J.; Gerlach, U.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 663 - 664
• a: 18.228 ± 0.001 Å
• b: 18.228 ± 0.001 Å
• c: 7.237 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2404.5 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No