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Information card for entry 4114439
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Coordinates | 4114439.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H32 N4 O6 |
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Calculated formula | C32 H32 N4 O6 |
Title of publication | Self-Assembled Nanotubes that Reversibly Bind Acetic Acid Guests |
Authors of publication | Linda S. Shimizu; Andrew D. Hughes; Mark D. Smith; Matthew J. Davis; B. Paul Zhang; Hans-Conrad zur Loye; Ken D. Shimizu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 14972 - 14973 |
a | 9.3219 ± 0.0004 Å |
b | 21.8875 ± 0.001 Å |
c | 13.9573 ± 0.0007 Å |
α | 90° |
β | 100.853 ± 0.001° |
γ | 90° |
Cell volume | 2796.8 ± 0.2 Å3 |
Cell temperature | 150 ± 0.2 K |
Ambient diffraction temperature | 150 ± 0.2 K |
Number of distinct elements | 4 |
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 | 0.0758 |
Residual factor for significantly intense reflections | 0.0652 |
Weighted residual factors for significantly intense reflections | 0.1373 |
Weighted residual factors for all reflections included in the refinement | 0.143 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178915 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/44. |
4114439.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114439.cif |
67765 | 2012-10-04 | cif/ Adding structures of 4114439 via cif-deposit CGI script. |
4114439.cif |
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Users of the data should acknowledge the original authors of the
structural data.