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Information card for entry 4001633
Preview
| Coordinates | 4001633.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C17 H20 N2 |
|---|---|
| Calculated formula | C17 H20 N2 |
| SMILES | n1ccc(cc1)/C=C/c1ccc(N(CC)CC)cc1 |
| Title of publication | Assembly, Two-Photon Absorption, and Bioimaging of Living Cells of A Cuprous Cluster |
| Authors of publication | Wang, Xuchun; Tian, Xiaohe; Zhang, Qiong; Sun, Pingping; Wu, Jieying; Zhou, Hongping; Jin, Baokang; Yang, Jiaxiang; Zhang, Shengyi; Wang, Chuankui; Tao, Xutang; Jiang, Minhua; Tian, Yupeng |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2012 |
| Journal volume | 24 |
| Journal issue | 5 |
| Pages of publication | 954 |
| a | 12.717 ± 0.008 Å |
| b | 15.016 ± 0.009 Å |
| c | 7.578 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1447.1 ± 1.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1181 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301811 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
4001633.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. |
4001633.cif |
| 178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001633.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4001633.cif |
| 51855 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4001633 via cif-deposit CGI script. |
4001633.cif |
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Users of the data should acknowledge the original authors of the
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