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Information card for entry 2008315
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2008315.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 5,10-Dimethoxy-1,4-methano-1,4,4a,11a-tetrahydrobenzo[b]fluoren-11-one-oxime |
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Formula | C20 H19 N O3 |
Calculated formula | C20 H19 N O3 |
SMILES | O(c1c2c(c(OC)c3/C(=N/O)[C@@H]4[C@@H]5C=C[C@H]([C@@H]4c13)C5)cccc2)C.O(c1c2c(c(OC)c3/C(=N/O)[C@H]4[C@H]5C=C[C@@H]([C@H]4c13)C5)cccc2)C |
Title of publication | 5,10-Dimethoxy-1,4-methano-1,4,4a,11a-tetrahydrobenzo[<i>b</i>]fluoren-11-one oxime |
Authors of publication | Kandasamy Chinnakali; Hoong-Kun Fun; Dipakranjan Mal; Nirmal Kumar Hazra; Sujit Kumar Ghorai; Gur Dayal Nigam |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1999 |
Journal volume | 55 |
Journal issue | 4 |
Pages of publication | 585 - 586 |
a | 8.8166 ± 0.0006 Å |
b | 9.9326 ± 0.0006 Å |
c | 9.9764 ± 0.0006 Å |
α | 76.875 ± 0.002° |
β | 76.582 ± 0.001° |
γ | 74.331 ± 0.001° |
Cell volume | 805.52 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0862 |
Residual factor for significantly intense reflections | 0.0576 |
Weighted residual factors for all reflections included in the refinement | 0.1714 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/2008315.html
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