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Information card for entry 4118087
Preview
Coordinates | 4118087.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H28 B F10 N O P |
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Calculated formula | C33 H28 B F10 N O P |
SMILES | [P]1([N]([B](CC1C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)=O)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals |
Authors of publication | Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 10156 - 10168 |
a | 7.9245 ± 0.0005 Å |
b | 10.6961 ± 0.0005 Å |
c | 18.9336 ± 0.0019 Å |
α | 79.222 ± 0.004° |
β | 79.203 ± 0.007° |
γ | 88.914 ± 0.003° |
Cell volume | 1548.4 ± 0.2 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0875 |
Residual factor for significantly intense reflections | 0.0538 |
Weighted residual factors for significantly intense reflections | 0.1077 |
Weighted residual factors for all reflections included in the refinement | 0.1279 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178951 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/80. |
4118087.cif |
75232 | 2013-03-08 | cif/ Adding structures of 4118087 via cif-deposit CGI script. |
4118087.cif |
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Users of the data should acknowledge the original authors of the
structural data.