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Information card for entry 7160574
Preview
Coordinates | 7160574.cif |
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Original paper (by DOI) | HTML |
Chemical name | 6-Iodo-5-phenylphenanthro[9,10-f]quinoxaline |
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Formula | C26 H15 I N2 |
Calculated formula | C26 H15 I N2 |
Title of publication | Double aza[4,5]helicenes with a common naphthalene core: synthesis, crystal structure and optical properties |
Authors of publication | Sokha, Samita J.; Marchenko, Sergey S.; Demidov, Oleg; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V. |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2025 |
a | 13.41874 ± 0.00011 Å |
b | 7.27707 ± 0.00005 Å |
c | 20.60254 ± 0.00015 Å |
α | 90° |
β | 104.508 ± 0.0008° |
γ | 90° |
Cell volume | 1947.67 ± 0.03 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0268 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0691 |
Weighted residual factors for all reflections included in the refinement | 0.0703 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
299917 (current) | 2025-06-03 | cif/ Adding structures of 7160574, 7160575, 7160576, 7160577 via cif-deposit CGI script. |
7160574.cif |
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Users of the data should acknowledge the original authors of the
structural data.