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Information card for entry 2219306
Preview
Coordinates | 2219306.cif |
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Structure factors | 2219306.hkl |
Original IUCr paper | HTML |
Chemical name | 4,4'-[8b,8c-bis(ethoxycarbonyl)-4,8-dioxo-2,3,5,6-tetrahydro- 1H,4H-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene- 2,6-diyl]dipyridinium bis(tetrafluoridoborate) |
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Formula | C26 H32 B2 F8 N8 O6 |
Calculated formula | C26 H32 B2 F8 N8 O6 |
Title of publication | 4,4'-[8b,8c-Bis(ethoxycarbonyl)-4,8-dioxo-2,3,5,6-tetrahydro-1<i>H</i>,4<i>H</i>-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene-2,6-diyl]dipyridinium bis(tetrafluoridoborate) |
Authors of publication | Qin, Shu-Qi; Pang, Tao; Li, Yi-Tao |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 9 |
Pages of publication | o1689 |
a | 17.9399 ± 0.0017 Å |
b | 7.9673 ± 0.0008 Å |
c | 22.58 ± 0.002 Å |
α | 90° |
β | 93.089 ± 0.002° |
γ | 90° |
Cell volume | 3222.7 ± 0.5 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1042 |
Residual factor for significantly intense reflections | 0.0664 |
Weighted residual factors for significantly intense reflections | 0.1735 |
Weighted residual factors for all reflections included in the refinement | 0.1978 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
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