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Information card for entry 4038653
Preview
Coordinates | 4038653.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H48 Cl6 N2 O4 S2 |
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Calculated formula | C53 H47 Cl3 N2 O4 S2 |
Title of publication | Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation. |
Authors of publication | Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 11.949 ± 0.003 Å |
b | 25.877 ± 0.006 Å |
c | 16.528 ± 0.005 Å |
α | 90° |
β | 98.21 ± 0.02° |
γ | 90° |
Cell volume | 5058 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0972 |
Residual factor for significantly intense reflections | 0.0719 |
Weighted residual factors for significantly intense reflections | 0.1746 |
Weighted residual factors for all reflections included in the refinement | 0.203 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 1.54178 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/4038653.html
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