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Information card for entry 7150574
Preview
Coordinates | 7150574.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C15 H19 N |
---|---|
Calculated formula | C15 H19 N |
SMILES | N1(C2CCCC=C2CC1)Cc1ccccc1 |
Title of publication | Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines |
Authors of publication | Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2009 |
Journal volume | 7 |
Journal issue | 5 |
Pages of publication | 986 - 995 |
a | 5.8108 ± 0.0008 Å |
b | 10.4031 ± 0.0015 Å |
c | 10.8646 ± 0.0015 Å |
α | 68.858 ± 0.003° |
β | 87.535 ± 0.003° |
γ | 79.418 ± 0.003° |
Cell volume | 601.95 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0461 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0885 |
Weighted residual factors for all reflections included in the refinement | 0.0934 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150574.cif |
180291 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/05. |
7150574.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150574.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150574.cif |
1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150574.cif |
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Users of the data should acknowledge the original authors of the
structural data.