Crystallography Open Database

Information card for entry 2006882

2006881 << 2006882 >> 2006883

Preview

Coordinates	2006882.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	cis-anti-cis-tricyclo[6.4.0.0^2.7^]dodecane-3,12-dione
Formula	C12 H16 O2
Calculated formula	C12 H16 O2
SMILES	O=C1CCC[C@H]2[C@@H]1[C@@H]1C(=O)CCC[C@H]21.O=C1CCC[C@@H]2[C@H]1[C@H]1C(=O)CCC[C@@H]21
Title of publication	<i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,12-dione and <i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,9-dione
Authors of publication	Angela Taylor; Edmund J. Eisenbraun; Clinton E. Browne; Elizabeth M. Holt
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	12
Pages of publication	1963 - 1966
a	10.703 ± 0.002 Å
b	10.99 ± 0.001 Å
c	17.584 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2068.3 ± 0.7 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.1562
Goodness-of-fit parameter for all reflections included in the refinement	0.725
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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