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Information card for entry 8102192
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Coordinates | 8102192.cif |
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External links | ChemSpider |
Chemical name | 5,17-dibromo-25,26,27,28-tetramethoxycalix[4]arene |
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Formula | C32 H30 Br2 O4 |
Calculated formula | C32 H30 Br2 O4 |
SMILES | Brc1cc2c(OC)c(Cc3c(OC)c(Cc4c(OC)c(Cc5c(OC)c(C2)ccc5)cc(Br)c4)ccc3)c1 |
Title of publication | Crystal structure of 5,17-dibromo-25,26,27,28-tetramethoxycalix[4] arene, C~32~H~30~Br~2~O~4~ |
Authors of publication | Hu, Xiao-Jun; Zhang, Pin; Li, Yong; Yang, Hai-Jun; Wang, Ru-Ji |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2007 |
Journal volume | 222 |
Journal issue | 4 |
Pages of publication | 405 - 406 |
a | 11.9369 ± 0.0018 Å |
b | 12.3316 ± 0.0013 Å |
c | 20.268 ± 0.002 Å |
α | 90° |
β | 106.197 ± 0.012° |
γ | 90° |
Cell volume | 2865.1 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1011 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.0908 |
Weighted residual factors for all reflections included in the refinement | 0.1053 |
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 |
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