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Information card for entry 1503477
Preview
| Coordinates | 1503477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H34 Cl2 N2 O2 |
|---|---|
| Calculated formula | C48 H34 Cl2 N2 O2 |
| SMILES | c12c3c4c5c6nc7ccccc7c(c6CCc5ccc4OCOc3ccc2CCc2c1nc1ccccc1c2c1ccccc1)c1ccccc1.C(Cl)Cl |
| Title of publication | Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties. |
| Authors of publication | Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 1 |
| Pages of publication | 288 - 291 |
| a | 34.248 ± 0.005 Å |
| b | 12.589 ± 0.005 Å |
| c | 20.845 ± 0.005 Å |
| α | 90° |
| β | 124.556 ± 0.005° |
| γ | 90° |
| Cell volume | 7402 ± 4 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1569 |
| Residual factor for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections | 0.1907 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8814 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194547 (current) | 2017-03-27 | cif/1 Fixing some wrong Z values and formulae |
1503477.cif |
| 176729 | 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. |
1503477.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503477.cif |
| 37859 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 1503477 via cif-deposit CGI script. |
1503477.cif |
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Users of the data should acknowledge the original authors of the
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