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Information card for entry 1556815
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Coordinates | 1556815.cif |
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Original paper (by DOI) | HTML |
Common name | 1,4,-dichloro-9,10-dimethylotriptycene |
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Chemical name | 1,4,-dichloro-9,10-dimethylotriptycene |
Formula | C22 H16 Cl2 |
Calculated formula | C22 H16 Cl2 |
Title of publication | Yes, one can obtain better quality structures from routine X-ray data collection. |
Authors of publication | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof |
Journal of publication | IUCrJ |
Year of publication | 2016 |
Journal volume | 3 |
Journal issue | Pt 1 |
Pages of publication | 61 - 70 |
a | 13.589 ± 0.003 Å |
b | 8.0415 ± 0.0016 Å |
c | 14.943 ± 0.003 Å |
α | 90° |
β | 93.998 ± 0.013° |
γ | 90° |
Cell volume | 1628.9 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0724 |
Residual factor for significantly intense reflections | 0.0724 |
Weighted residual factors for significantly intense reflections | 0.1923 |
Weighted residual factors for all reflections included in the refinement | 0.1923 |
Goodness-of-fit parameter for all reflections | 2.62 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.56 |
Diffraction radiation probe | neutron |
Diffraction radiation type | Mo-Kα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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