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Information card for entry 1505970
Preview
Coordinates | 1505970.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C25 H24 N2 O |
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Calculated formula | C25 H24 N2 O |
SMILES | C(=O)(C[C@H](c1cc2ccccc2[nH]1)c1ccccc1)N[C@H](C)c1ccccc1 |
Title of publication | Catalytic enantioselective pyrrole alkylations of alpha,beta-unsaturated 2-acyl imidazoles. |
Authors of publication | Evans, David A.; Fandrick, Keith R. |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 11 |
Pages of publication | 2249 - 2252 |
a | 4.9719 ± 0.0009 Å |
b | 14.74 ± 0.003 Å |
c | 26.89 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1970.7 ± 0.6 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0843 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.0786 |
Weighted residual factors for all reflections included in the refinement | 0.0849 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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. |
1505970.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. |
1505970.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505970.cif |
47894 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505970 via cif-deposit CGI script. |
1505970.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.