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Information card for entry 7243371
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Coordinates | 7243371.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H8 Br Cl N2 O |
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Calculated formula | C12 H8 Br Cl N2 O |
Title of publication | Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides |
Authors of publication | Feiler, Torvid; Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Rhim, Seon-Young; Schröder, Vincent; List-Kratochvil, Emil; Emmerling, Franziska |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 34 |
Pages of publication | 5815 - 5825 |
a | 4.4398 ± 0.0003 Å |
b | 19.0129 ± 0.0011 Å |
c | 13.8958 ± 0.001 Å |
α | 90° |
β | 92.18 ± 0.003° |
γ | 90° |
Cell volume | 1172.14 ± 0.13 Å3 |
Cell temperature | 149.59 K |
Ambient diffraction temperature | 149.59 K |
Number of distinct elements | 6 |
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 | 0.0747 |
Residual factor for significantly intense reflections | 0.0576 |
Weighted residual factors for significantly intense reflections | 0.1428 |
Weighted residual factors for all reflections included in the refinement | 0.1548 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7243371.html
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Users of the data should acknowledge the original authors of the
structural data.