Crystallography Open Database

Information card for entry 2009038

2009037 << 2009038 >> 2009039

Preview

Coordinates	2009038.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4-Methylbicyclo[6.3.0]undecane-2,6-dione
Formula	C12 H18 O2
Calculated formula	C12 H18 O2
SMILES	O=C1C[C@H](CC(=O)C[C@H]2CCC[C@@H]12)C.O=C1C[C@@H](CC(=O)C[C@@H]2CCC[C@H]12)C
Title of publication	4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)
Authors of publication	Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	10
Pages of publication	1721 - 1725
a	6.629 ± 0.001 Å
b	16.35 ± 0.001 Å
c	5.328 ± 0.001 Å
α	95.78 ± 0.02°
β	109.9 ± 0.02°
γ	80.3 ± 0.02°
Cell volume	534.64 ± 0.15 Å³
Cell temperature	297 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.