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Information card for entry 4030300
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Coordinates | 4030300.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1a in manuscript |
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Formula | C48 H56 N2 Si2 |
Calculated formula | C51 H56 N2 Si2 |
SMILES | [Si](C#Cc1ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3cc4C5c6c(C(c4cc3nc12)c1c5cccc1)cccc6)(C(C)C)(C(C)C)C(C)C |
Title of publication | Soluble Diazaiptycenes: Materials for Solution-Processed Organic Electronics. |
Authors of publication | Biegger, Philipp; Stolz, Sebastian; Intorp, Sebastian N.; Zhang, Yexiang; Engelhart, Jens U.; Rominger, Frank; Hardcastle, Kenneth I.; Lemmer, Uli; Qian, Xuhong; Hamburger, Manuel; Bunz, U. H. F. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 80 |
Journal issue | 1 |
Pages of publication | 582 |
a | 16.33 ± 0.02 Å |
b | 20.33 ± 0.03 Å |
c | 14.711 ± 0.019 Å |
α | 90° |
β | 99.3 ± 0.02° |
γ | 90° |
Cell volume | 4820 ± 11 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1998 |
Residual factor for significantly intense reflections | 0.1369 |
Weighted residual factors for significantly intense reflections | 0.3663 |
Weighted residual factors for all reflections included in the refinement | 0.4113 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.415 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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