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Information card for entry 2001181
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Coordinates | 2001181.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (^+^~-~)-(R^*^{S^*^[S^*^-(S^*^)]})-α,α'-[Iminobis(methylene-6-fluoro- 3,4-dihydro-2H-1-benzopyran-2-methanol] Hydrochloride |
---|---|
Formula | C22 H27 Cl F2 N O4 |
Calculated formula | C22 H26 Cl F2 N O4 |
Title of publication | Structure and absolute configuration of nebivolol: (±)-(<i>R</i>*{<i>S</i>*[<i>S</i>*-(<i>S</i>*)]})-α,α'-[iminobis(methylene)]bis(6-fluoro-3,4-dihydro-2<i>H</i>-1-benzopyran-2-methanol) (nebivolol) hydrochloride (I) and (+)-(<i>S</i>{<i>R</i>[<i>R</i>-(<i>R</i>)]})-nebivolol hydrobromide dihydrate (II) |
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 | 2154 - 2157 |
a | 8.11 ± 0.009 Å |
b | 9.07 ± 0.01 Å |
c | 15.61 ± 0.02 Å |
α | 81.37 ± 0.09° |
β | 85.29 ± 0.09° |
γ | 68.61 ± 0.09° |
Cell volume | 1057 ± 2 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0935 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for all reflections | 0.09 |
Weighted residual factors for significantly intense reflections | 0.0699 |
Goodness-of-fit parameter for significantly intense reflections | 1.1 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2001181.html
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