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Information card for entry 8100945
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| Coordinates | 8100945.cif |
|---|
| Formula | C30 H30 N2 O4 |
|---|---|
| Calculated formula | C30 H30 N2 O4 |
| SMILES | c12cccc(COCc3ccccc3COCc3cccc(COCc4ccccc4COC2)n3)n1 |
| Title of publication | Crystal structure of 3,12,20,29-tetraoxa-35,36-diazapentacyclo[29.3.1.1 ^14,18^.0^5,10^.0^22,27^]hexatriaconta-1(35),6,8,14,16,18(36),22(27), 23,25,31,33-dodecane, C~30~H~30~N~2~O~4~ |
| Authors of publication | Caiazza, D.; Lincoln, S. F.; Tiekink, E. R. T.; Ward, A. D. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 2 |
| Pages of publication | 245 - 246 |
| a | 13.16 ± 0.01 Å |
| b | 4.372 ± 0.007 Å |
| c | 21.06 ± 0.006 Å |
| α | 90° |
| β | 92.8 ± 0.04° |
| γ | 90° |
| Cell volume | 1210 ± 2 Å3 |
| Cell temperature | 113 K |
| Ambient diffraction temperature | 113 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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