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Information card for entry 7204645
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Coordinates | 7204645.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | 3-(2,7-Dibromo-fluoren-9-ylidene)-2-(9-(3-oxo-3-phenyl-prop-1- ynyl)-9H-fluoren-9-yl)-1-phenyl-propenone |
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Chemical name | 3-(2,7-Dibromo-fluoren-9-ylidene)-2-[9-(3-oxo-3-phenyl-prop-1-ynyl)- 9H-fluoren-9-yl]-1-phenyl-propenone |
Formula | C44 H24 Br2 O2 |
Calculated formula | C44 H24 Br2 O2 |
SMILES | Brc1cc2C(C(=C=C3c4ccccc4c4ccccc34)C(=O)c3ccccc3)(c3c(c2cc1)ccc(Br)c3)C#CC(=O)c1ccccc1 |
Title of publication | Novel photochromism of propargylallene in the solid state |
Authors of publication | Tanaka, Koichi; Tomomori, Akihiro; Scott, Janet L. |
Journal of publication | CrystEngComm |
Year of publication | 2003 |
Journal volume | 5 |
Journal issue | 27 |
Pages of publication | 147 |
a | 9.142 ± 0.0002 Å |
b | 9.6756 ± 0.0002 Å |
c | 19.9513 ± 0.0005 Å |
α | 79.184 ± 0.001° |
β | 83.998 ± 0.001° |
γ | 68.436 ± 0.001° |
Cell volume | 1610.88 ± 0.06 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0928 |
Residual factor for significantly intense reflections | 0.0523 |
Weighted residual factors for significantly intense reflections | 0.1191 |
Weighted residual factors for all reflections included in the refinement | 0.1338 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/7204645.html
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Users of the data should acknowledge the original authors of the
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