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Information card for entry 1501601
Preview
Coordinates | 1501601.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C54 H66 O21 S6 |
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Calculated formula | C54 H66 O21 S6 |
SMILES | S(=O)(=O)(OCC(COCC(COS(=O)(=O)c1ccc(cc1)C)(COS(=O)(=O)c1ccc(cc1)C)COS(=O)(=O)c1ccc(cc1)C)(COS(=O)(=O)c1ccc(cc1)C)COS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C.OC.OC |
Title of publication | Molecular Tectonics. Dendritic Construction of Porous Hydrogen-Bonded Networks |
Authors of publication | Laliberté, Dominic; Maris, Thierry; Sirois, Ariane; Wuest, James D. |
Journal of publication | Organic Letters |
Year of publication | 2003 |
Journal volume | 5 |
Journal issue | 25 |
Pages of publication | 4787 - 4790 |
a | 14.1959 ± 0.0019 Å |
b | 14.724 ± 0.002 Å |
c | 17.312 ± 0.002 Å |
α | 67.503 ± 0.003° |
β | 67.112 ± 0.004° |
γ | 88.948 ± 0.004° |
Cell volume | 3043.6 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0929 |
Residual factor for significantly intense reflections | 0.0561 |
Weighted residual factors for significantly intense reflections | 0.1391 |
Weighted residual factors for all reflections included in the refinement | 0.1519 |
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 | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
219237 (current) | 2019-10-10 | cif/1/50/16/ Updated bibliographic information in entries 1501600-1501601. |
1501601.cif |
201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1501601.cif |
176729 | 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. |
1501601.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1501601.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501601.cif |
26822 | 2011-09-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501600, 1501601 via cif-deposit CGI script. |
1501601.cif |
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Users of the data should acknowledge the original authors of the
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