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Information card for entry 1505906
Preview
Coordinates | 1505906.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C22 H19 Br N2 O2 S |
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Calculated formula | C22 H19 Br N2 O2 S |
SMILES | Brc1ccc([C@H](NS(=O)(=O)c2ccc(cc2)C)c2c[nH]c3c2cccc3)cc1 |
Title of publication | Asymmetric Friedel-Crafts addition of indoles to N-sulfonyl aldimines: a simple approach to optically active 3-indolyl-methanamine derivatives. |
Authors of publication | Jia, Yi-Xia; Xie, Jian-Hua; Duan, Hai-Feng; Wang, Li-Xin; Zhou, Qi-Lin |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 8 |
Pages of publication | 1621 - 1624 |
a | 18.443 ± 0.008 Å |
b | 8.521 ± 0.003 Å |
c | 27.694 ± 0.012 Å |
α | 90° |
β | 105.917 ± 0.007° |
γ | 90° |
Cell volume | 4185 ± 3 Å3 |
Number of distinct elements | 6 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.163 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1505906.cif |
191064 | 2017-01-29 | cif/1/50/59/ (antanas@kurmis) Changing the data item names _geom_angle_atom_site_symbol_1, _geom_angle_atom_site_symbol_2, _geom_angle_atom_site_symbol_3, _geom_bond_atom_site_symbol_1, _geom_bond_atom_site_symbol_2, _geom_torsion_atom_site_symbol_1, _geom_torsion_atom_site_symbol_2, _geom_torsion_atom_site_symbol_3, _geom_torsion_atom_site_symbol_4 to _geom_angle_atom_site_label_1, _geom_angle_atom_site_label_2, _geom_angle_atom_site_label_3, _geom_bond_atom_site_label_1, _geom_bond_atom_site_label_2, _geom_torsion_atom_site_label_1, _geom_torsion_atom_site_label_2, _geom_torsion_atom_site_label_3, _geom_torsion_atom_site_label_4 in entry 1505906. |
1505906.cif |
176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1505906.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505906.cif |
47842 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505906 via cif-deposit CGI script. |
1505906.cif |
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