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Information card for entry 8102278
Preview
Coordinates | 8102278.cif |
---|
Chemical name | 2,6-Bis-(4-bromo-benzyl)-4,8-dioxo-tetrahydro-2,3a,4a,6,7a,8a-hexaaza- cyclopenta[def]fluorene-8b,8c-dicarboxylic acid diethyl ester |
---|---|
Formula | C28 H30 Br2 N6 O6 |
Calculated formula | C28 H30 Br2 N6 O6 |
Title of publication | Crystal structure of 2,6-bis-(4-bromo-benzyl)-4,8-dioxotetrahydro-2,3a,4a,6,7a,8a-hexaaza-cyclopenta[def]fluorene-8b,8c-dicarboxylic acid diethyl ester, C28H30Br2N6O6 |
Authors of publication | Sheng-Li Hu; Jing Zheng |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2008 |
Journal volume | 223 |
Journal issue | 3 |
Pages of publication | 239 |
a | 15.1641 ± 0.0008 Å |
b | 12.85 ± 0.0007 Å |
c | 16.0287 ± 0.0009 Å |
α | 90° |
β | 112.808 ± 0.001° |
γ | 90° |
Cell volume | 2879.1 ± 0.3 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.0797 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.0999 |
Weighted residual factors for all reflections included in the refinement | 0.1108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176728 (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 8. |
8102278.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102278.cif |
13017 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102278 via cif-deposit CGI script. |
8102278.cif |
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Users of the data should acknowledge the original authors of the
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