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Information card for entry 7015730
Preview
| Coordinates | 7015730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C27 H36 N6 |
|---|---|
| Calculated formula | C27 H36 N6 |
| SMILES | C(c1nccn1C)(n1cc2c([C@@]3(CC[C@H]2C3(C)C)C)n1)n1cc2c([C@@]3(CC[C@H]2C3(C)C)C)n1 |
| Title of publication | Cu(i) catalysed cyclopropanation with enantiopure scorpionate type ligands derived from (+)-camphor or (-)-menthone. |
| Authors of publication | Godau, Tom; Bleifuß, Sascha M; Müller, Astrid L; Roth, Thomas; Hoffmann, Susanne; Heinemann, Frank W.; Burzlaff, Nicolai |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 24 |
| Pages of publication | 6547 - 6554 |
| a | 25.4805 ± 0.0012 Å |
| b | 7.7565 ± 0.0005 Å |
| c | 17.8684 ± 0.0007 Å |
| α | 90° |
| β | 133.701 ± 0.003° |
| γ | 90° |
| Cell volume | 2553.1 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1074 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation probe | x-ray |
| 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. |
7015730.cif |
| 179861 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/57. |
7015730.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015730.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015730.cif |
| 21330 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015730, 7015731, 7015732 via cif-deposit CGI script. |
7015730.cif |
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