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Information card for entry 1505812
Preview
Coordinates | 1505812.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H86 Cl12 N2 O16 |
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Calculated formula | C76 H86 Cl12 N2 O16 |
Title of publication | Novel triptycene-based cylindrical macrotricyclic host: synthesis and complexation with paraquat derivatives. |
Authors of publication | Zong, Qian-Shou; Chen, Chuan-Feng |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 2 |
Pages of publication | 211 - 214 |
a | 12.41 ± 0.0012 Å |
b | 12.8373 ± 0.0012 Å |
c | 25.498 ± 0.002 Å |
α | 90° |
β | 92.49 ± 0.002° |
γ | 90° |
Cell volume | 4058.3 ± 0.6 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1314 |
Residual factor for significantly intense reflections | 0.0873 |
Weighted residual factors for significantly intense reflections | 0.2583 |
Weighted residual factors for all reflections included in the refinement | 0.307 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505812.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505812.cif |
47758 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505812 via cif-deposit CGI script. |
1505812.cif |
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Users of the data should acknowledge the original authors of the
structural data.