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Information card for entry 2224920
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2224920.cif |
---|---|
Structure factors | 2224920.hkl |
Original IUCr paper | HTML |
Chemical name | Dimethylammonium 5,5-dimethyl-3-oxo-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-\ octahydro-1<i>H</i>-xanthen-9-yl)cyclohex-1-enolate 9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3,3,6,6-tetramethyl-\ 3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione <i>n</i>-hexane hemisolvate monohydrate |
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Formula | C55 H80 N O11 |
Calculated formula | C55 H80 N O11 |
Title of publication | Dimethylammonium 5,5-dimethyl-3-oxo-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1<i>H</i>-xanthen-9-yl)cyclohex-1-enolate 9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione <i>n</i>-hexane hemisolvate monohydrate |
Authors of publication | Hasanudin, Noorhafizah; Abdul Rahim, Aisyah Saad; Muhamad Salhimi, Salizawati; Goh, Jia Hao; Fun, Hoong-Kun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 2 |
Pages of publication | o470 - o471 |
a | 11.2438 ± 0.0002 Å |
b | 20.1671 ± 0.0003 Å |
c | 23.6474 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5362.16 ± 0.14 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0699 |
Residual factor for significantly intense reflections | 0.0522 |
Weighted residual factors for significantly intense reflections | 0.1329 |
Weighted residual factors for all reflections included in the refinement | 0.145 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2224920.html
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