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Information card for entry 2012102
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Coordinates | 2012102.cif |
---|---|
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | 10-(4-fluorophenyl)-9-propyl-3,3,6,6-tetramethyl-3,4,6,7,9,10- hexahydroacridine-1,8(2H,5H)-dione |
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Formula | C26 H32 F N O2 |
Calculated formula | C26 H32 F N O2 |
SMILES | Fc1ccc(N2C3=C(C(=O)CC(C3)(C)C)C(C3=C2CC(CC3=O)(C)C)CCC)cc1 |
Title of publication | 10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione and 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-propyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione |
Authors of publication | Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Seshadri, P. R.; Thirumalai, D. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2001 |
Journal volume | 57 |
Journal issue | 7 |
Pages of publication | 821 - 824 |
a | 27.454 ± 0.001 Å |
b | 12.2738 ± 0.001 Å |
c | 16.2792 ± 0.001 Å |
α | 90° |
β | 123.118 ± 0.01° |
γ | 90° |
Cell volume | 4594.4 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.074 |
Residual factor for significantly intense reflections | 0.051 |
Weighted residual factors for all reflections included in the refinement | 0.196 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/2012102.html
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