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Information card for entry 1503255
Preview
| Coordinates | 1503255.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H51 N3 Si3 |
|---|---|
| Calculated formula | C45 H51 N3 Si3 |
| SMILES | [Si](C#Cc1cc2n(CC)c3c(c2cc1)c1n(c2c(c1c1n(CC)c4c(c31)ccc(C#C[Si](C)(C)C)c4)ccc(c2)C#C[Si](C)(C)C)CC)(C)(C)C |
| Title of publication | Switching high two-photon efficiency: from 3,8,13-substituted triindole derivatives to their 2,7,12-isomers. |
| Authors of publication | Ji, Lei; Fang, Qi; Yuan, Mao-Sen; Liu, Zhi-Qiang; Shen, Yu-Xiang; Chen, Hong-Feng |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 22 |
| Pages of publication | 5192 - 5195 |
| a | 18.3907 ± 0.0004 Å |
| b | 7.8435 ± 0.0002 Å |
| c | 30.5956 ± 0.0007 Å |
| α | 90° |
| β | 92.8504 ± 0.0015° |
| γ | 90° |
| Cell volume | 4407.88 ± 0.18 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1162 |
| Residual factor for significantly intense reflections | 0.0709 |
| Weighted residual factors for significantly intense reflections | 0.1702 |
| Weighted residual factors for all reflections included in the refinement | 0.193 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1503255.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. |
1503255.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503255.cif |
| 37132 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503255 via cif-deposit CGI script. |
1503255.cif |
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Users of the data should acknowledge the original authors of the
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