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Information card for entry 1543088
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Coordinates | 1543088.cif |
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Structure factors | 1543088.hkl |
Original IUCr paper | HTML |
Common name | Dihydroxy phenyl tetradecyl ketone |
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Chemical name | 1-(2,6-Dihydroxyphenyl)tetradecan-1-one |
Formula | C20 H32 O3 |
Calculated formula | C20 H32 O3 |
SMILES | c1(c(cccc1O)O)C(=O)CCCCCCCCCCCCC |
Title of publication | 1-(2,6-Dihydroxyphenyl)tetradecan-1-one: isolated from the fruit rinds of <i>Myristica malabarica</i> |
Authors of publication | Bauri, A. K.; Foro, Sabine; Do, Nhu Quynh Nguyen |
Journal of publication | IUCrData |
Year of publication | 2016 |
Journal volume | 1 |
Journal issue | 4 |
Pages of publication | x160577 |
a | 4.2047 ± 0.0006 Å |
b | 34.146 ± 0.004 Å |
c | 13.347 ± 0.003 Å |
α | 90° |
β | 97.67 ± 0.01° |
γ | 90° |
Cell volume | 1899.1 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1364 |
Residual factor for significantly intense reflections | 0.0857 |
Weighted residual factors for significantly intense reflections | 0.1395 |
Weighted residual factors for all reflections included in the refinement | 0.1604 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.299 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
182049 (current) | 2016-04-13 | cif/ hkl/ Adding structures of 1543088 via cif-deposit CGI script. |
1543088.cif 1543088.hkl |
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Users of the data should acknowledge the original authors of the
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