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Information card for entry 4511929
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| Coordinates | 4511929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | RsC3, bpa, ethanol |
|---|---|
| Chemical name | C-propylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)acetylene, ethanol |
| Formula | C136 H152 N9 O20 |
| Calculated formula | C136 H146 N10 O20 |
| Title of publication | Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks |
| Authors of publication | Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 5212 |
| a | 11.1659 ± 0.0004 Å |
| b | 11.3572 ± 0.0004 Å |
| c | 24.089 ± 0.0009 Å |
| α | 77.464 ± 0.001° |
| β | 81.008 ± 0.001° |
| γ | 84.342 ± 0.001° |
| Cell volume | 2938.7 ± 0.18 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0733 |
| Residual factor for significantly intense reflections | 0.0713 |
| Weighted residual factors for significantly intense reflections | 0.2067 |
| Weighted residual factors for all reflections included in the refinement | 0.2091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179666 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/19. |
4511929.cif |
| 124637 | 2014-10-06 | cif/ Updating files of 4511919, 4511920, 4511921, 4511922, 4511923, 4511924, 4511925, 4511926, 4511927, 4511928, 4511929 Original log message: Adding full bibliography for 4511919--4511929.cif. |
4511929.cif |
| 123213 | 2014-09-07 | cif/ Adding structures of 4511919, 4511920, 4511921, 4511922, 4511923, 4511924, 4511925, 4511926, 4511927, 4511928, 4511929 via cif-deposit CGI script. |
4511929.cif |
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Users of the data should acknowledge the original authors of the
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