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Information card for entry 8105398
Preview
Coordinates | 8105398.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H28 N2 O3 Si |
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Calculated formula | C27 H28 N2 O3 Si |
Title of publication | Crystal structure of 3-[(triisopropylsilanyl)-ethynyl]-6a,12a-dihydro-1H-1,4-diaza-benzo[α]anthracene-2,7,12-trione, C27H28N2O3Si |
Authors of publication | Zhu, Lei; Luo, Na; Chen, Jinyang; Zhang, Mingzhong; Zhao, Jingzhe; Miao, Shaobin |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2020 |
Journal volume | 235 |
Journal issue | 5 |
Pages of publication | 1129 - 1131 |
a | 7.5098 ± 0.0004 Å |
b | 7.8881 ± 0.0004 Å |
c | 20.8904 ± 0.0014 Å |
α | 97.002 ± 0.005° |
β | 98.703 ± 0.005° |
γ | 95.739 ± 0.005° |
Cell volume | 1205.25 ± 0.12 Å3 |
Cell temperature | 100.15 K |
Ambient diffraction temperature | 100.15 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 | 0.0946 |
Residual factor for significantly intense reflections | 0.0586 |
Weighted residual factors for significantly intense reflections | 0.1334 |
Weighted residual factors for all reflections included in the refinement | 0.161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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