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Information card for entry 8100474
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Coordinates | 8100474.cif |
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Formula | C41 H33 N O6 |
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Calculated formula | C41 H33 N O6 |
SMILES | n1(c(c2c(c1c1ccccc1)C1c3c(C2c2ccccc12)cccc3)c1ccccc1)c1cc(cc(c1)C(=O)O)C(=O)O.O.O=C(C)C |
Title of publication | Crystal structure of N-(3,5-benzenedicarboxy)-2,5-phenyl-3,4-(9,10- dihydroanthracen-diyl)-pyrrole — acetone — hydrate (1:1:1), C~38~H~25~NO~4~ · C~3~H~6~O · H~2~O |
Authors of publication | Uytterhoeven, Koen; Van Meervelt, Luc; Smet, Mario; Dehaen, Wim |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2003 |
Journal volume | 218 |
Journal issue | 4 |
Pages of publication | 485 - 487 |
a | 9.61 ± 0.003 Å |
b | 12.877 ± 0.003 Å |
c | 15.138 ± 0.004 Å |
α | 109.29 ± 0.02° |
β | 105.16 ± 0.02° |
γ | 94.24 ± 0.02° |
Cell volume | 1680 ± 0.9 Å3 |
Cell temperature | 289 ± 2 K |
Ambient diffraction temperature | 289 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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