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Information card for entry 4032714
Preview
Coordinates | 4032714.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H42 N20 |
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Calculated formula | C56 H42 N20 |
SMILES | C1(c2ccc(cc2)c2nc(nc(n2)N)N)(c2ccc(cc2)c2nc(nc(n2)N)N)c2cc3c(C(c4ccc(cc4)c4nc(nc(n4)N)N)(c4ccc(cc4)c4nc(nc(n4)N)N)c4c3cccc4)cc2c2ccccc12 |
Title of publication | Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes. |
Authors of publication | Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 16 |
Pages of publication | 8536 - 8547 |
a | 11.9098 ± 0.0005 Å |
b | 11.9888 ± 0.0005 Å |
c | 19.7512 ± 0.0009 Å |
α | 78.161 ± 0.002° |
β | 79.589 ± 0.002° |
γ | 85.415 ± 0.002° |
Cell volume | 2712 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1154 |
Residual factor for significantly intense reflections | 0.1044 |
Weighted residual factors for significantly intense reflections | 0.3243 |
Weighted residual factors for all reflections included in the refinement | 0.3368 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.452 |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4032714.html
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Users of the data should acknowledge the original authors of the
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