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Information card for entry 4001060
Preview
| Coordinates | 4001060.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C25 H9 Cl7 N6 S6 |
|---|---|
| Calculated formula | C25 H9 Cl7 N6 S6 |
| SMILES | Clc1c2c(c3c4c2c(Sc2sc(nn2)C)c(Cl)c(Cl)c4c(Sc2sc(nn2)C)c(Cl)c3Sc2sc(nn2)C)c(Cl)c(Cl)c1Cl |
| Title of publication | From Self-Assembled Microspheres to Self-Templated Nanotubes: Morphologies and Properties of Sulfur-Bridged Fluoranthene-Based Organic Materials |
| Authors of publication | Fang, Xiao-Liang; Deng, Shun-Liu; Wang, Jing; Wang, Xiao-Feng; Chen, Cheng; Li, Yue; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2009 |
| Journal volume | 21 |
| Journal issue | 24 |
| Pages of publication | 5763 |
| a | 11.8343 ± 0.0009 Å |
| b | 12.336 ± 0.0005 Å |
| c | 12.7275 ± 0.0008 Å |
| α | 84.027 ± 0.004° |
| β | 63.974 ± 0.007° |
| γ | 66.052 ± 0.006° |
| Cell volume | 1519.7 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1286 |
| Residual factor for significantly intense reflections | 0.0727 |
| Weighted residual factors for significantly intense reflections | 0.1697 |
| Weighted residual factors for all reflections included in the refinement | 0.1853 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 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. |
4001060.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. |
4001060.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4001060.cif |
| 38951 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4001060 via cif-deposit CGI script. |
4001060.cif |
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