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Information card for entry 1545383
Preview
Coordinates | 1545383.cif |
---|---|
Structure factors | 1545383.hkl |
Original paper (by DOI) | HTML |
Chemical name | <i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3,3b,4,5,6,7,7a,7b-octahydro-3a<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide |
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Formula | C17 H27 N O |
Calculated formula | C17 H27 N O |
SMILES | O=C(N[C@]12[C@H]([C@H]3[C@@]1(CCCC3(C)C)C)C(=CC2)C)C |
Title of publication | <i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3a,3b,4,5,6,7,7a,7b-octahydro-3<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide |
Authors of publication | Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha |
Journal of publication | IUCrData |
Year of publication | 2017 |
Journal volume | 2 |
Journal issue | 2 |
Pages of publication | x170275 |
a | 9.7147 ± 0.0003 Å |
b | 10.0052 ± 0.0003 Å |
c | 16.3078 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1585.08 ± 0.08 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0412 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.0997 |
Weighted residual factors for all reflections included in the refinement | 0.1028 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1545383.html
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Users of the data should acknowledge the original authors of the
structural data.