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Information card for entry 2003713
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Coordinates | 2003713.cif |
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Original IUCr paper | HTML |
Chemical name | 4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)- 1-methylpiperidinium hydrogen malate |
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Formula | C23 H27 N O5 S |
Calculated formula | C27 H32 N O10 S |
Title of publication | 4-(9,10-Dihydro-4<i>H</i>-benzo[4,5]cyclohepta[1,2-<i>b</i>]thien-4-ylidene)-1-methylpiperidinium Hydrogen Malate |
Authors of publication | Peeters, O. M.; Blaton, N. M.; De Ranter, C. J. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 7 |
Pages of publication | 1435 - 1438 |
a | 9.973 ± 0.001 Å |
b | 17.101 ± 0.002 Å |
c | 25.496 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4348.3 ± 0.8 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P c a b |
Hall space group symbol | -P 2bc 2ac |
Residual factor for all reflections | 0.1952 |
Residual factor for significantly intense reflections | 0.0561 |
Weighted residual factors for all reflections | 0.1411 |
Weighted residual factors for significantly intense reflections | 0.0909 |
Goodness-of-fit parameter for all reflections | 1.136 |
Goodness-of-fit parameter for significantly intense reflections | 1.415 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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