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Information card for entry 1503066
Preview
Coordinates | 1503066.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | in manuscript 8n |
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Chemical name | 3-[(E)-1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-3-morpholin-4-yl-prop-2-en-(E)-yliden]-1-methansulfonyl-1,3-dihydroindol-2-one |
Formula | C30 H29 Cl3 N2 O5 S |
Calculated formula | C30 H29 Cl3 N2 O5 S |
SMILES | Clc1ccc(C(=C2\C(=O)N(S(=O)(=O)C)c3c2cccc3)\C=C(\N2CCOCC2)c2ccc(OC)cc2)cc1.C(Cl)Cl |
Title of publication | Unusual solid-state luminescent push-pull indolones: a general one-pot three-component approach. |
Authors of publication | D'Souza, Daniel M; Muschelknautz, Christian; Rominger, Frank; Müller, Thomas J J |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 15 |
Pages of publication | 3364 - 3367 |
a | 9.8525 ± 0.0006 Å |
b | 12.4298 ± 0.0008 Å |
c | 13.0648 ± 0.0009 Å |
α | 71.504 ± 0.001° |
β | 77.486 ± 0.001° |
γ | 75.275 ± 0.001° |
Cell volume | 1451.26 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0395 |
Residual factor for significantly intense reflections | 0.0334 |
Weighted residual factors for significantly intense reflections | 0.0883 |
Weighted residual factors for all reflections included in the refinement | 0.0927 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1503066.html
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Users of the data should acknowledge the original authors of the
structural data.