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Information card for entry 7150531
Preview
| Coordinates | 7150531.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C22 H18 N2 O2 |
|---|---|
| Calculated formula | C22 H18 N2 O2 |
| SMILES | O1C(OCC1)c1c(C(=N#N)c2ccc(c3ccccc3)cc2)cccc1 |
| Title of publication | Photochemical generation, intramolecular reactions, and spectroscopic detection of oxonium ylide and carbene intermediates in a crystalline ortho-(1,3-dioxolan-2-yl)-diaryldiazomethane. |
| Authors of publication | Garcia-Garibay, Miguel A; Dang, Hung |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 6 |
| Pages of publication | 1106 - 1114 |
| a | 6.074 ± 0.001 Å |
| b | 11.401 ± 0.001 Å |
| c | 12.309 ± 0.002 Å |
| α | 93.98 ± 0.01° |
| β | 93.6 ± 0.01° |
| γ | 90.25 ± 0.02° |
| Cell volume | 848.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1135 |
| Weighted residual factors for all reflections included in the refinement | 0.1185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| 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. |
7150531.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. |
7150531.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150531.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150531.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150531.cif |
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Users of the data should acknowledge the original authors of the
structural data.