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Information card for entry 7216099
Preview
Coordinates | 7216099.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H27 N O3 |
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Calculated formula | C23 H27 N O3 |
SMILES | c1(ccc(cc1)C(=O)[O-])[C@]1([C@]2(C)[C@H]3C[C@@H]2C[C@@H]13)O.c1(ccccc1)[C@H](C)[NH3+] |
Title of publication | Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones |
Authors of publication | Xia, Wujiong; Scheffer, John R.; Patrick, Brian O. |
Journal of publication | CrystEngComm |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 119 |
Pages of publication | 728 |
a | 6.212 ± 0.001 Å |
b | 7.213 ± 0.002 Å |
c | 44.481 ± 0.009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1993.1 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1165 |
Residual factor for significantly intense reflections | 0.0843 |
Weighted residual factors for significantly intense reflections | 0.2254 |
Weighted residual factors for all reflections included in the refinement | 0.2437 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180491 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/60. |
7216099.cif |
114343 | 2014-05-23 | cif/ Adding structures of 7216098, 7216099, 7216100 via cif-deposit CGI script. |
7216099.cif |
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Users of the data should acknowledge the original authors of the
structural data.