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Information card for entry 7153392
Preview
| Coordinates | 7153392.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H40 F6 |
|---|---|
| Calculated formula | C44 H26 F6 |
| SMILES | C1([C@@H]([C@H](C1=C1c2ccccc2c2ccccc12)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)=C1c2ccccc2c2ccccc12.C1([C@H]([C@@H](C1=C1c2ccccc2c2ccccc12)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)=C1c2ccccc2c2ccccc12 |
| Title of publication | Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene. |
| Authors of publication | Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2010 |
| Journal volume | 8 |
| Journal issue | 17 |
| Pages of publication | 3997 - 4010 |
| a | 10.154 ± 0.003 Å |
| b | 16.592 ± 0.004 Å |
| c | 23.131 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3897 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 45 |
| Hermann-Mauguin space group symbol | I b a 2 |
| Hall space group symbol | I 2 -2c |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1311 |
| Weighted residual factors for all reflections included in the refinement | 0.1361 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180319 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/33. |
7153392.cif |
| 93258 | 2014-01-12 | cif/ Adding structures of 7153391, 7153392, 7153393, 7153394, 7153395, 7153396, 7153397, 7153398, 7153399, 7153400, 7153401, 7153402 via cif-deposit CGI script. |
7153392.cif |
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Users of the data should acknowledge the original authors of the
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