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Information card for entry 7705347
Preview
Coordinates | 7705347.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H17 As O |
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Calculated formula | C21 H17 As O |
Title of publication | 2-Arylbenzo[<i>b</i>]arsoles: an experimental and computational study on the relationship between structural and photophysical properties. |
Authors of publication | Ishijima, Kosuke; Tanaka, Susumu; Imoto, Hiroaki; Naka, Kensuke |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 44 |
Pages of publication | 15612 - 15621 |
a | 12.064 ± 0.015 Å |
b | 6.135 ± 0.007 Å |
c | 12.744 ± 0.016 Å |
α | 90° |
β | 114.742 ± 0.012° |
γ | 90° |
Cell volume | 856.6 ± 1.8 Å3 |
Cell temperature | 273 K |
Ambient diffraction temperature | 273 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0385 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for significantly intense reflections | 0.0647 |
Weighted residual factors for all reflections included in the refinement | 0.068 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
260730 (current) | 2021-01-07 | cif/ Updating files of 7705347, 7705348, 7705349 Original log message: Adding full bibliography for 7705347--7705349.cif. |
7705347.cif |
255891 | 2020-09-04 | cif/ Adding structures of 7705347, 7705348, 7705349 via cif-deposit CGI script. |
7705347.cif |
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Users of the data should acknowledge the original authors of the
structural data.