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Information card for entry 7230244
Preview
Coordinates | 7230244.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5,11-dibutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11-diazadibenzo[ef,kl]heptalene |
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Formula | C48 H48 N2 |
Calculated formula | C48 H48 N2 |
Title of publication | Polymorphism of a porous hydrogen bond assisted ionic organic framework |
Authors of publication | Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
a | 12.2542 ± 0.0011 Å |
b | 12.3204 ± 0.0011 Å |
c | 12.461 ± 0.0011 Å |
α | 91.981 ± 0.007° |
β | 106.699 ± 0.007° |
γ | 93.107 ± 0.007° |
Cell volume | 1796.9 ± 0.3 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0777 |
Residual factor for significantly intense reflections | 0.0471 |
Weighted residual factors for significantly intense reflections | 0.1044 |
Weighted residual factors for all reflections included in the refinement | 0.1257 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7230244.html
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