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Information card for entry 1508173
Preview
| Coordinates | 1508173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C144 H110 Cl2 O6 |
|---|---|
| Calculated formula | C144 H110 Cl2 O6 |
| SMILES | O1Cc2cc3c4cc(cc(c4)C#Cc4cccc5c4cc4c(c5)cccc4C#Cc4cc(cc(c4)c4cc5cc(c4)c4cc(cc(c4)C#Cc4cccc6c4cc4c(C#Cc7cc(c8cc(cc(COC(=O)c9cc(cc(C1=O)c9)C(=O)OC5)c8)c1cc(cc(c1)C)C#Cc1cccc5c1cc1c(c5)cccc1C#Cc1cc(cc(c(c2)c3)c1)C)cc(c7)C)cccc4c6)C)C)C.Clc1ccccc1Cl.CCCCCC.CCCCCC |
| Title of publication | A two-dimensional polymer prepared by organic synthesis. |
| Authors of publication | Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji |
| Journal of publication | Nature chemistry |
| Year of publication | 2012 |
| Journal volume | 4 |
| Journal issue | 4 |
| Pages of publication | 287 - 291 |
| a | 12.5392 ± 0.0004 Å |
| b | 21.844 ± 0.0005 Å |
| c | 22.5292 ± 0.0006 Å |
| α | 61.234 ± 0.002° |
| β | 88.2978 ± 0.0012° |
| γ | 89.8086 ± 0.0014° |
| Cell volume | 5406.5 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.185 |
| Residual factor for significantly intense reflections | 0.0949 |
| Weighted residual factors for significantly intense reflections | 0.2042 |
| Weighted residual factors for all reflections included in the refinement | 0.2533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1508173.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1508173.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508173.cif |
| 62719 | 2012-07-09 | cif/ Adding structures of 1508173 via cif-deposit CGI script. |
1508173.cif |
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