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Information card for entry 1518098
Preview
| Coordinates | 1518098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H25 N O4 |
|---|---|
| Calculated formula | C30 H25 N O4 |
| Title of publication | Polycyclic aromatic azomethine ylides: a unique entry to extended polycyclic heteroaromatics |
| Authors of publication | Berger, Reinhard; Wagner, Manfred; Feng, Xinliang; Müllen, Klaus |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 1 |
| Pages of publication | 436 |
| a | 12.1231 ± 0.001 Å |
| b | 12.9429 ± 0.0011 Å |
| c | 17.2915 ± 0.0014 Å |
| α | 95.734 ± 0.002° |
| β | 108.021 ± 0.002° |
| γ | 113.144 ± 0.0019° |
| Cell volume | 2295 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0698 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1113 |
| Weighted residual factors for all reflections included in the refinement | 0.1258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518098.cif |
| 176729 | 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. |
1518098.cif |
| 130977 | 2015-02-04 | cif/ Updating files of 1518098, 1518099 Original log message: Adding full bibliography for 1518098--1518099.cif. |
1518098.cif |
| 125711 | 2014-10-23 | cif/ Adding structures of 1518098, 1518099 via cif-deposit CGI script. |
1518098.cif |
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Users of the data should acknowledge the original authors of the
structural data.