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Information card for entry 1518107
Preview
Coordinates | 1518107.cif |
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Original paper (by DOI) | HTML |
Formula | C21.5 H7.5 Br2 Cl4.5 N6 S3 |
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Calculated formula | C21.5 H7.5 Br2 Cl4.5 N6 S3 |
Title of publication | Selective Even-Numbered Bromination of Triptycene Tris(thiadiazoles). |
Authors of publication | Kohl, Bernd; Over, Lena Charlotte; Lohr, Thorsten; Vasylyeva, Mariya; Rominger, Frank; Mastalerz, Michael |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 21 |
Pages of publication | 5596 - 5599 |
a | 12.1222 ± 0.0017 Å |
b | 14.719 ± 0.0019 Å |
c | 15.016 ± 0.002 Å |
α | 81.818 ± 0.003° |
β | 81.662 ± 0.004° |
γ | 87.213 ± 0.003° |
Cell volume | 2622.9 ± 0.6 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0668 |
Residual factor for significantly intense reflections | 0.0452 |
Weighted residual factors for significantly intense reflections | 0.1057 |
Weighted residual factors for all reflections included in the refinement | 0.1153 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1518107.cif |
127253 | 2014-11-12 | cif/ Updating files of 1518105, 1518106, 1518107, 1518108 Original log message: Adding full bibliography for 1518105--1518108.cif. |
1518107.cif |
125789 | 2014-10-23 | cif/ Adding structures of 1518105, 1518106, 1518107, 1518108 via cif-deposit CGI script. |
1518107.cif |
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Users of the data should acknowledge the original authors of the
structural data.