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Information card for entry 7215483
Preview
Coordinates | 7215483.cif |
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Original paper (by DOI) | HTML |
Formula | C51 H89 N3 O7 |
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Calculated formula | C51 H89 N3 O7 |
Title of publication | The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules |
Authors of publication | Adalder, Tapas Kumar; Dastidar, Parthasarathi |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 22 |
Pages of publication | 4867 |
a | 29.446 ± 0.014 Å |
b | 39.144 ± 0.019 Å |
c | 17.41 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 20067 ± 16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 43 |
Hermann-Mauguin space group symbol | F d d 2 |
Hall space group symbol | F 2 -2d |
Residual factor for all reflections | 0.0502 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.0987 |
Weighted residual factors for all reflections included in the refinement | 0.1067 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180485 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/54. |
7215483.cif |
116157 | 2014-06-07 | cif/ Updating files of 7215472, 7215473, 7215474, 7215475, 7215476, 7215477, 7215478, 7215479, 7215480, 7215481, 7215482, 7215483 Original log message: Adding full bibliography for 7215472--7215483.cif. |
7215483.cif |
112295 | 2014-04-30 | cif/ Adding structures of 7215472, 7215473, 7215474, 7215475, 7215476, 7215477, 7215478, 7215479, 7215480, 7215481, 7215482, 7215483 via cif-deposit CGI script. |
7215483.cif |
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Users of the data should acknowledge the original authors of the
structural data.