Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4025720
Preview
| Coordinates | 4025720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C29 H22 N2 O2 |
|---|---|
| Calculated formula | C29 H22 N2 O2 |
| SMILES | OC(=O)/C=C/c1ccccc1.n1ccc(c2cccc3cccc(c23)c2ccncc2)cc1 |
| Title of publication | Stereocontrolled Photodimerization with Congested 1,8-Bis(4'-anilino)naphthalene Templates |
| Authors of publication | Marwan W. Ghosn; Christian Wolf |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2010 |
| Journal volume | 75 |
| Pages of publication | 6653 - 6659 |
| a | 9.5279 ± 0.0015 Å |
| b | 10.4512 ± 0.0016 Å |
| c | 12.1116 ± 0.0019 Å |
| α | 100.867 ± 0.003° |
| β | 110.309 ± 0.003° |
| γ | 98.418 ± 0.003° |
| Cell volume | 1081 ± 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 | 0.1167 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301812 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
4025720.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4025720.cif |
| 178436 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/57. |
4025720.cif |
| 177053 | 2016-02-29 | cif/4/02/57/ Fixing misspelt tag '_atom_site_symmetry_multiplicity': for i in $(cod-locate 4025719 4025720); do cif_correct_tags -r ~/src/cod-tools/trunk/tests/inputs/replacement_tags.lst $i \ | cif_filter -h $i \ | sponge $i done |
4025720.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4025720.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4025720.cif |
| 11525 | 2011-02-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4025720 via cif-deposit CGI script. |
4025720.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.