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Information card for entry 2240006
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| Coordinates | 2240006.cif |
|---|---|
| Structure factors | 2240006.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 9-(4-Bromobutyl)-9<i>H</i>-fluorene-9-carboxylic acid |
|---|---|
| Formula | C18 H17 Br O2 |
| Calculated formula | C18 H17 Br O2 |
| SMILES | BrCCCCC1(C(=O)O)c2ccccc2c2ccccc12 |
| Title of publication | Crystal structure of 9-(4-bromobutyl)-9<i>H</i>-fluorene-9-carboxylic acid |
| Authors of publication | Zhang, Xu-Yang; Liu, Bing-Ni; Wang, Ping-Bao; Liu, Deng-Ke |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | o1118 - o1119 |
| a | 9.897 ± 0.002 Å |
| b | 11.8 ± 0.002 Å |
| c | 14.202 ± 0.003 Å |
| α | 91.59 ± 0.03° |
| β | 95.32 ± 0.03° |
| γ | 104.7 ± 0.03° |
| Cell volume | 1595.1 ± 0.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0829 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240006.cif 2240006.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240006.cif 2240006.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240006.cif 2240006.hkl |
| 124352 | 2014-09-28 | cif/ hkl/ Adding structures of 2240006 via cif-deposit CGI script. |
2240006.cif 2240006.hkl |
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Users of the data should acknowledge the original authors of the
structural data.