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Information card for entry 8101030
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Coordinates | 8101030.cif |
---|
Formula | C32 H48 N4 O12 P4 |
---|---|
Calculated formula | C32 H48 N4 O12 P4 |
SMILES | [NH3+]c1cc(c(cc1)C)C.[NH3+]c1cc(c(cc1)C)C.[NH3+]c1cc(c(cc1)C)C.[NH3+]c1cc(c(cc1)C)C.O=P1(OP(=O)(OP(=O)([O-])OP(=O)(O1)[O-])[O-])[O-] |
Title of publication | Crystal structure of 3,4-dimethyl-phenylammonium cyclotetraphosphate, (C~8~H~12~N)~4~(P~4~O~12~) |
Authors of publication | Hemissi, Hanene; Abid, Sonia; Rzaigui, Mohamed |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2001 |
Journal volume | 216 |
Journal issue | 3 |
Pages of publication | 431 - 432 |
a | 7.982 ± 0.005 Å |
b | 7.652 ± 0.002 Å |
c | 17.154 ± 0.002 Å |
α | 93.83 ± 0.02° |
β | 91.93 ± 0.04° |
γ | 63.56 ± 0.04° |
Cell volume | 936.2 ± 0.6 Å3 |
Cell temperature | 296.2 K |
Ambient diffraction temperature | 296.2 K |
Number of distinct elements | 5 |
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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