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Information card for entry 1505815
Preview
Coordinates | 1505815.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H25 B Fe N O P |
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Calculated formula | C20 H25 B Fe N O P |
SMILES | [BH3][P@@]1([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]9[cH]8[cH]7[cH]23)N(C)[C@@H](C)[C@@H](c2ccccc2)O1 |
Title of publication | Oxazaphospholidine-oxide as an efficient ortho-directing group for the diastereoselective deprotonation of ferrocene. |
Authors of publication | Vinci, Daniele; Mateus, Nuno; Wu, Xiaofeng; Hancock, Fred; Steiner, Alexander; Xiao, Jianliang |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 2 |
Pages of publication | 215 - 218 |
a | 7.3574 ± 0.0015 Å |
b | 15.976 ± 0.003 Å |
c | 16.707 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1963.8 ± 0.6 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0672 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for significantly intense reflections | 0.0469 |
Weighted residual factors for all reflections included in the refinement | 0.0517 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.76 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 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. |
1505815.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505815.cif |
47761 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505815 via cif-deposit CGI script. |
1505815.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.