Crystallography Open Database

Information card for entry 2009040

2009039 << 2009040 >> 2009041

Preview

Coordinates	2009040.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	8-Methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione
Formula	C15 H20 O2
Calculated formula	C15 H20 O2
SMILES	O=C1C[C@H](CC2=CC(=O)C[C@@H]2[C@@H]2CCC[C@@H]12)C.O=C1C[C@@H](CC2=CC(=O)C[C@H]2[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	11.331 ± 0.004 Å
b	13.315 ± 0.002 Å
c	9.298 ± 0.002 Å
α	101.44 ± 0.01°
β	105.67 ± 0.02°
γ	77.15 ± 0.02°
Cell volume	1302.5 ± 0.6 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	0.052
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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