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Information card for entry 7202565
Preview
| Coordinates | 7202565.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol(3,7- Diazatricyclo(4.2.2.22,5) dodeca-9,11-diene-4,8-dione)water clathrate |
|---|---|
| Formula | C60 H50 N3 O7 |
| Calculated formula | C60 H48 N3 O6.394 |
| Title of publication | Channels formation through photodimerization of guest molecules within solid inclusion compounds |
| Authors of publication | Lavy, Tali; Kaftory, Menahem |
| Journal of publication | CrystEngComm |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 2 |
| Pages of publication | 123 |
| a | 10.555 ± 0.002 Å |
| b | 13.574 ± 0.003 Å |
| c | 17.197 ± 0.003 Å |
| α | 81.04 ± 0.02° |
| β | 80.96 ± 0.02° |
| γ | 81.74 ± 0.02° |
| Cell volume | 2385.6 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.2164 |
| Residual factor for significantly intense reflections | 0.1003 |
| Weighted residual factors for significantly intense reflections | 0.2628 |
| Weighted residual factors for all reflections included in the refinement | 0.2969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.87 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180356 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/25. |
7202565.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202565.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202565.cif |
| 31986 | 2012-01-04 | cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0 |
7202565.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7202565.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202565.cif |
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Users of the data should acknowledge the original authors of the
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