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Information card for entry 7234658
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Coordinates | 7234658.cif |
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Original paper (by DOI) | HTML |
Common name | 2-(9H-carbazol-9-yl)-3,5,5-trimethylcyclohex-2-en-1-one |
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Chemical name | 2-(carbazol-9-yl)-3,5,5-trimethylcycloh ex-2-en-1-one |
Formula | C21 H21 N O |
Calculated formula | C21 H21 N O |
Title of publication | Structure-function relationship exploration for enhanced thermal stability and electro-optic activity in monolithic organic NLO chromophores |
Authors of publication | Wenwei Jin; Peter V. Johnston; Delwin L. Elder; Karl T. Manner; Kerry E. Garrett; Werner Kaminsky; Ruimin Xu; Bruce H. Robinson; Larry R. Dalton |
Journal of publication | Journal of Materials Chemistry C |
Year of publication | 2016 |
Journal volume | 4 |
Pages of publication | 3119 - 3124 |
a | 7.5283 ± 0.0006 Å |
b | 35.261 ± 0.003 Å |
c | 18.8417 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5001.6 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0803 |
Residual factor for significantly intense reflections | 0.0715 |
Weighted residual factors for significantly intense reflections | 0.1371 |
Weighted residual factors for all reflections included in the refinement | 0.1414 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.23 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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