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Information card for entry 1506413
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1506413.cif |
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Original paper (by DOI) | HTML |
Common name | (E)-6 |
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Chemical name | (E)-2-tert-Butyl-9-(2,2,2-triphenylethylidene)fluorene |
Formula | C37 H32 |
Calculated formula | C37 H32 |
SMILES | c12cc(ccc1c1ccccc1C/2=C\C(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C |
Title of publication | Syntheses, structures, and photoisomerization of (E)- and (Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene. |
Authors of publication | Barr, James W.; Bell, Thomas W.; Catalano, Vincent J.; Cline, Joseph I.; Phillips, Daniel J.; Procupez, Rolando |
Journal of publication | The journal of physical chemistry. A |
Year of publication | 2005 |
Journal volume | 109 |
Journal issue | 51 |
Pages of publication | 11650 - 11654 |
a | 12.221 ± 0.001 Å |
b | 17.921 ± 0.002 Å |
c | 13.524 ± 0.003 Å |
α | 90° |
β | 107.82 ± 0.01° |
γ | 90° |
Cell volume | 2819.8 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 2 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1177 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.1463 |
Weighted residual factors for all reflections included in the refinement | 0.1809 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1506413.html
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