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Information card for entry 1569471
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1569471.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H44 |
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Calculated formula | C44 H44 |
Title of publication | 4,5-Di-tert-butyl-1,3,6,8-tetraphenyl-4,5,8a,8b-tetrahydro-as-indacene |
Authors of publication | Colon-Madera, Shakira I.; Jennings, Abby R.; Iacono, Scott T.; Balaich, Gary J. |
Journal of publication | Molbank |
Year of publication | 2023 |
Journal volume | 2023 |
Journal issue | 2 |
Pages of publication | M1663 |
a | 13.6682 ± 0.0001 Å |
b | 19.089 ± 0.0001 Å |
c | 25.666 ± 0.0001 Å |
α | 90° |
β | 101.462 ± 0.001° |
γ | 90° |
Cell volume | 6563.02 ± 0.07 Å3 |
Cell temperature | 100.01 ± 0.12 K |
Ambient diffraction temperature | 100.01 ± 0.12 K |
Number of distinct elements | 2 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0404 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0904 |
Weighted residual factors for all reflections included in the refinement | 0.0926 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/1569471.html
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