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Information card for entry 2239703
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| Coordinates | 2239703.cif |
|---|---|
| Structure factors | 2239703.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2',7'-Dibromospiro[cyclopropane-1,9'-fluorene] |
|---|---|
| Formula | C15 H10 Br2 |
| Calculated formula | C15 H10 Br2 |
| SMILES | c12cc(Br)ccc1c1c(C32CC3)cc(cc1)Br |
| Title of publication | 2',7'-Dibromospiro[cyclopropane-1,9'-fluorene] |
| Authors of publication | Xue, Yue-yuan; Qin, Yong-qi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | o821 |
| a | 16.9485 ± 0.0017 Å |
| b | 11.0619 ± 0.0011 Å |
| c | 6.8127 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1277.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0536 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0952 |
| Weighted residual factors for all reflections included in the refinement | 0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2239703.cif 2239703.hkl |
| 181897 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/97. |
2239703.cif 2239703.hkl |
| 181316 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/97. |
2239703.cif 2239703.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239703.cif 2239703.hkl |
| 118140 | 2014-06-26 | cif/ hkl/ Adding structures of 2239703 via cif-deposit CGI script. |
2239703.cif 2239703.hkl |
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