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Information card for entry 7245229
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Coordinates | 7245229.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H17 I2 N3 O |
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Calculated formula | C20 H17 I2 N3 O |
Title of publication | Structure–property investigations in urea tethered iodinated triphenylamines |
Authors of publication | Hossain, Muhammad Saddam; Ahmed, Fiaz; Karakalos, Stavros G.; Smith, Mark D.; Pant, Namrata; Garashchuk, Sophya; Greytak, Andrew B.; Docampo, Pablo; Shimizu, Linda S. |
Journal of publication | Physical Chemistry Chemical Physics |
Year of publication | 2022 |
a | 9.4579 ± 0.0004 Å |
b | 9.9193 ± 0.0004 Å |
c | 23.4761 ± 0.0009 Å |
α | 90.91 ± 0.001° |
β | 99.539 ± 0.002° |
γ | 114.954 ± 0.001° |
Cell volume | 1960.13 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0442 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.0512 |
Weighted residual factors for all reflections included in the refinement | 0.0553 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation probe | x-ray |
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/7245229.html
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