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Information card for entry 2009040
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Coordinates | 2009040.cif |
---|---|
Original IUCr paper | HTML |
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 Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2009040.html
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Users of the data should acknowledge the original authors of the
structural data.