Information card for entry 2016911

Structure parameters

• Formula: C18 H20 Br F N O2
• Calculated formula: C18 H21 Br F N O2
• Title of publication: Structure and absolute configuration of (‒)-(<i>RS</i>)-α-[(benzylamino)methyl]-6-fluoro-3,4-dihydro-2<i>H</i>-1-benzopyran-2-methanol hydrobromide
• Authors of publication: Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 2157 - 2160
• a: 7.672 ± 0.004 Å
• b: 15.37 ± 0.02 Å
• c: 15.053 ± 0.009 Å
• α: 90°
• β: 90.54 ± 0.05°
• γ: 90°
• Cell volume: 1775 ± 3 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0424
• Goodness-of-fit parameter for significantly intense reflections: 1.55
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No