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Information card for entry 2006323
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Coordinates | 2006323.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 6,7-dihydro-8-(4-methyl-1-piperazinyl)[1]benzoxepino[4,5-c]quinoline |
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Formula | C22 H23.26 N3 O1.13 |
Calculated formula | C22 H23.2867 N3 O1.14333 |
Title of publication | Characterization of Quinoline Derivatives. I. 6,7-Dihydro-8-(4-methyl-1-piperazinyl)[1]benzoxepino[4,5-<i>c</i>]quinoline 0.13-Hydrate |
Authors of publication | Giorgi, Gianluca; Cappelli, Andrea; Anzini, Maurizio; Vomero, Salvatore; Marchetti, Fabio |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 7 |
Pages of publication | 987 - 990 |
a | 15.0089 ± 0.0014 Å |
b | 16.952 ± 0.002 Å |
c | 22.124 ± 0.002 Å |
α | 90° |
β | 96.172 ± 0.006° |
γ | 90° |
Cell volume | 5596.4 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1875 |
Residual factor for significantly intense reflections | 0.0694 |
Weighted residual factors for all reflections | 0.1628 |
Weighted residual factors for significantly intense reflections | 0.1143 |
Goodness-of-fit parameter for all reflections | 0.934 |
Goodness-of-fit parameter for significantly intense reflections | 1.212 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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