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Information card for entry 8100014
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 8100014.cif |
---|
Formula | C18 H20 O2 |
---|---|
Calculated formula | C18 H20 O2 |
SMILES | [C@@]12([C@@H]3C=Cc4ccccc4[C@@H]3C[C@@H](C(=O)O2)C1)C(C)C.[C@]12([C@H]3C=Cc4ccccc4[C@H]3C[C@H](C(=O)O2)C1)C(C)C |
Title of publication | Crystal structure of 1-isopropyl-15-oxatetracyclo-[11.2.1.02,11.05, 10]hexadeca-3,5(10),6,8-tetraen-14-one, C~18~H~20~O~2~ |
Authors of publication | Berndt, M.; Brüdgam, I.; Hartl, H.; Reißig, H.-U. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2004 |
Journal volume | 219 |
Journal issue | 1 |
Pages of publication | 51 - 52 |
a | 21.37 ± 0.004 Å |
b | 5.6424 ± 0.0011 Å |
c | 23.686 ± 0.005 Å |
α | 90° |
β | 104.346 ± 0.005° |
γ | 90° |
Cell volume | 2767 ± 0.9 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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