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Information card for entry 7103904
Preview
Coordinates | 7103904.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H60 N24 O8 |
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Calculated formula | C53 H60 N24 O8 |
SMILES | c1(nc(Nc2ccc(C(c3ccc(cc3)Nc3nc(nc(n3)NCCOC(=O)C)N)(c3ccc(cc3)Nc3nc(nc(n3)NCCOC(=O)C)N)c3ccc(cc3)Nc3nc(nc(n3)NCCOC(=O)C)N)cc2)nc(n1)NCCOC(=O)C)N |
Title of publication | Excavations in molecular crystals |
Authors of publication | Le Fur, Erwan; Demers, Eric; Maris, Thierry; Wuest, James D. |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2003 |
Journal issue | 24 |
Pages of publication | 2966 - 2967 |
a | 25.6644 ± 0.0003 Å |
b | 25.6644 ± 0.0003 Å |
c | 12.2028 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8037.5 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.1568 |
Residual factor for significantly intense reflections | 0.0824 |
Weighted residual factors for significantly intense reflections | 0.1885 |
Weighted residual factors for all reflections included in the refinement | 0.2306 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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