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Information card for entry 1517496
Preview
| Coordinates | 1517496.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H15 Cl |
|---|---|
| Calculated formula | C10 H15 Cl |
| SMILES | C1(Cl)C2CC3CC(CC1C3)C2 |
| Title of publication | Polymorphism in 2-x-adamantane derivatives (x = cl, br). |
| Authors of publication | Negrier, Philippe; Barrio, María; Tamarit, Josep Ll; Mondieig, Denise |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2014 |
| Journal volume | 118 |
| Journal issue | 32 |
| Pages of publication | 9595 - 9603 |
| a | 6.4681 ± 0.0015 Å |
| b | 6.7071 ± 0.0014 Å |
| c | 11.012 ± 0.002 Å |
| α | 91.016 ± 0.017° |
| β | 90.85 ± 0.02° |
| γ | 115.238 ± 0.013° |
| Cell volume | 431.92 ± 0.16 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517496.cif |
| 122793 | 2014-09-05 | cif/ Adding structures of 1517496 via cif-deposit CGI script. |
1517496.cif |
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Users of the data should acknowledge the original authors of the
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