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Information card for entry 1508147
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| Coordinates | 1508147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | OP8NO2+[SbF6-] |
|---|---|
| Formula | C69 H71.5 F6 N4.5 O20 Sb |
| Calculated formula | C69 H71.5 F6 N4.5 O20 Sb |
| SMILES | O(c1cc(N(=O)=O)c(cc1OC)c1c(cc(OC)c(OC)c1)c1c(cc(OC)c(OC)c1)c1c(cc(OC)c(OC)c1)c1c(cc(OC)c(OC)c1)c1c(cc(OC)c(OC)c1)c1c(cc(OC)c(OC)c1)c1c(N(=O)=O)cc(OC)c(OC)c1)C.[Sb](F)(F)(F)(F)(F)[F-].N#CC.C(#N)C.N#CC |
| Title of publication | Redox-responsive molecular helices with highly condensed π-clouds. |
| Authors of publication | Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo |
| Journal of publication | Nature chemistry |
| Year of publication | 2011 |
| Journal volume | 3 |
| Journal issue | 1 |
| Pages of publication | 68 - 73 |
| a | 12.6264 ± 0.0001 Å |
| b | 22.3733 ± 0.0002 Å |
| c | 25.1262 ± 0.0003 Å |
| α | 90° |
| β | 102.392 ± 0.0005° |
| γ | 90° |
| Cell volume | 6932.65 ± 0.12 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0986 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.1592 |
| Weighted residual factors for all reflections included in the refinement | 0.178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 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. |
1508147.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508147.cif |
| 62693 | 2012-07-09 | cif/ Adding structures of 1508147 via cif-deposit CGI script. |
1508147.cif |
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