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Information card for entry 4025867
Preview
| Coordinates | 4025867.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C23 H22 N2 O2 S |
|---|---|
| Calculated formula | C23 H22 N2 O2 S |
| SMILES | S(=O)(=O)(N[C@H](c1c2ccccc2[nH]c1)c1ccc(cc1)C)c1ccc(cc1)C |
| Title of publication | SPINOL-Derived Phosphoric Acids: Synthesis and Application in Enantioselective Friedel-Crafts Reaction of Indoles with Imines |
| Authors of publication | Fangxi Xu; Dan Huang; Chao Han; Wei Shen; Xufeng Lin; Yanguang Wang |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2010 |
| Journal volume | 75 |
| Pages of publication | 8677 - 8680 |
| a | 9.5928 ± 0.00018 Å |
| b | 9.33221 ± 0.00017 Å |
| c | 11.7332 ± 0.0003 Å |
| α | 90° |
| β | 97.7632 ± 0.0019° |
| γ | 90° |
| Cell volume | 1040.75 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.04 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.0939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4025867.cif |
| 198632 | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
4025867.cif |
| 178437 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/58. |
4025867.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4025867.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4025867.cif |
| 11672 | 2011-02-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4025867 via cif-deposit CGI script. |
4025867.cif |
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Users of the data should acknowledge the original authors of the
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