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Information card for entry 1503040
Preview
Coordinates | 1503040.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H50 N2 O3 |
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Calculated formula | C39 H50 N2 O3 |
SMILES | [nH]1c2ccccc2c2c(OCCCCCCCC)cc3cc(OCCCCCCCC)c4c5ccccc5[nH]c4c3c12.OC |
Title of publication | Synthesis and characterization of new carbazolocarbazoles: toward pi-extended N-fused heteroacenes |
Authors of publication | Curiel, David; Más-Montoya, Miriam; Uruvakili, Anasuyama; Orenes, Raúl A; Pallamreddy, Haranath; Molina, Pedro |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 14 |
Pages of publication | 3164 - 3167 |
a | 8.6711 ± 0.0009 Å |
b | 8.765 ± 0.0009 Å |
c | 24.82 ± 0.003 Å |
α | 97.279 ± 0.002° |
β | 92.24 ± 0.002° |
γ | 117.315 ± 0.002° |
Cell volume | 1652.4 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0974 |
Residual factor for significantly intense reflections | 0.0702 |
Weighted residual factors for significantly intense reflections | 0.1945 |
Weighted residual factors for all reflections included in the refinement | 0.2128 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 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/1503040.html
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