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Information card for entry 4103283
Preview
Coordinates | 4103283.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H28 N6 O6 S4 |
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Calculated formula | C24 H28 N6 O6 S4 |
Title of publication | Controlled Orientation of Polyconjugated Guest Molecules in Tunable Host Cavities |
Authors of publication | Airon C. Soegiarto; Angiolina Comotti; Michael D. Ward |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 14603 - 14616 |
a | 6.1517 ± 0.0004 Å |
b | 7.2099 ± 0.0005 Å |
c | 16.0369 ± 0.001 Å |
α | 94.01 ± 0.004° |
β | 96.867 ± 0.004° |
γ | 93.349 ± 0.003° |
Cell volume | 702.85 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0339 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0769 |
Weighted residual factors for all reflections included in the refinement | 0.0793 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178778 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/32. |
4103283.cif |
120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103283.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103283.cif |
26264 | 2011-09-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4103283 via cif-deposit CGI script. |
4103283.cif |
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Users of the data should acknowledge the original authors of the
structural data.