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Information card for entry 2017936
Preview
| Coordinates | 2017936.cif |
|---|---|
| Structure factors | 2017936.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Bromo-1,3-bis[2-(2-naphthyl)vinyl]benzene benzene hemisolvate |
|---|---|
| Formula | C33 H24 Br |
| Calculated formula | C33 H24 Br |
| SMILES | c1ccccc1.Brc1c(cccc1/C=C/c1ccc2c(c1)cccc2)/C=C/c1ccc2c(c1)cccc2 |
| Title of publication | 2-Bromo-1,3-bis[2-(2-naphthyl)vinyl]benzene benzene hemisolvate and 9-bromodinaphth[1,2-<i>a</i>:2',1'-<i>j</i>]anthracene |
| Authors of publication | Mague, Joel T.; Chudomel, J. Matthew; Lahti, Paul M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | o43 - o46 |
| a | 11.633 ± 0.001 Å |
| b | 26.665 ± 0.002 Å |
| c | 15.2364 ± 0.0014 Å |
| α | 90° |
| β | 91.513 ± 0.001° |
| γ | 90° |
| Cell volume | 4724.6 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0766 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180848 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/79. |
2017936.cif 2017936.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2017936.cif 2017936.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017936.cif 2017936.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2017936.cif 2017936.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017936.cif 2017936.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2017936.cif 2017936.hkl |
| 9283 | 2011-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 2017936, 2017937 via cif-deposit CGI script. |
2017936.cif |
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