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Information card for entry 2311344
Preview
Coordinates | 2311344.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 3,4a,7,7,10a-Pentamethyl-3-vinyldodecahydro-1<i>H</i>-benzo[<i>f</i>]chromen-9-ol |
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Formula | C20 H34 O2 |
Calculated formula | C20 H34 O2 |
SMILES | O[C@H]1C[C@@]2([C@@H](C(C1)(C)C)CC[C@@]1(O[C@@](CC[C@@H]21)(C)C=C)C)C |
Title of publication | Crystal structure of 3,4a,7,7,10a-penta-methyl-3-vinyl-dodeca-hydro-1<i>H</i>-benzo[<i>f</i>]chromen-9-ol isolated from <i>Sideritis perfoliata</i>. |
Authors of publication | Çelik, Ísmail; Ersanlı, Cem Cüneyt; Köseoğlu, Rahmi; Akşit, Hüseyin; Erenler, Ramazan; Demirtaş, Ibrahim; Akkurt, Mehmet |
Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
Year of publication | 2016 |
Journal volume | 72 |
Journal issue | Pt 10 |
Pages of publication | 1380 - 1382 |
a | 7.1114 ± 0.0004 Å |
b | 16.3899 ± 0.0012 Å |
c | 32.812 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3824.4 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.134 |
Residual factor for significantly intense reflections | 0.0603 |
Weighted residual factors for significantly intense reflections | 0.1089 |
Weighted residual factors for all reflections included in the refinement | 0.1296 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/2311344.html
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