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Information card for entry 7103200
Preview
Coordinates | 7103200.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H35 N5 O7 |
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Calculated formula | C37 H35 N5 O7 |
SMILES | c1ccccc1C#Cc1ccc(c2c1CN1C(=O)NC3(C1(C(=O)OCC)N(C2)C(=O)N3)C(=O)OCC)C#Cc1ccccc1.O=CN(C)C |
Title of publication | Tetrameric molecular bowl assembled from glycoluril building blocks. |
Authors of publication | She, Neng-Fang; Meng, Xiang-Gao; Gao, Meng; Wu, An-Xin; Isaacs, Lyle |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 27 |
Pages of publication | 3133 - 3135 |
a | 9.3165 ± 0.0008 Å |
b | 13.5731 ± 0.0012 Å |
c | 14.272 ± 0.0013 Å |
α | 87.817 ± 0.002° |
β | 72.737 ± 0.002° |
γ | 85.808 ± 0.002° |
Cell volume | 1718.6 ± 0.3 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0864 |
Residual factor for significantly intense reflections | 0.0581 |
Weighted residual factors for significantly intense reflections | 0.1592 |
Weighted residual factors for all reflections included in the refinement | 0.1747 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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