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Information card for entry 1501613
Preview
Coordinates | 1501613.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H80 N4 O8 |
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Calculated formula | C48 H56 N4 O8 |
SMILES | O=C(O[C@@H](CC)C)Nc1ccc(C(c2ccc(NC(=O)O[C@@H](CC)C)cc2)(c2ccc(NC(=O)O[C@@H](CC)C)cc2)c2ccc(NC(=O)O[C@@H](CC)C)cc2)cc1.CCCCC |
Title of publication | Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks |
Authors of publication | Dominic Laliberté; Thierry Maris; James D. Wuest |
Journal of publication | Can. J. Chem. |
Year of publication | 2004 |
Journal volume | 82 |
Pages of publication | 386 - 398 |
a | 17.7201 ± 0.0006 Å |
b | 17.7201 ± 0.0006 Å |
c | 16.0845 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5050.6 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 80 |
Hermann-Mauguin space group symbol | I 41 |
Hall space group symbol | I 4bw |
Residual factor for all reflections | 0.1946 |
Residual factor for significantly intense reflections | 0.1022 |
Weighted residual factors for significantly intense reflections | 0.2493 |
Weighted residual factors for all reflections included in the refinement | 0.2888 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
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. |
1501613.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1501613.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501613.cif |
26832 | 2011-09-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501609, 1501610, 1501611, 1501612, 1501613, 1501614 via cif-deposit CGI script. |
1501613.cif |
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Users of the data should acknowledge the original authors of the
structural data.