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Information card for entry 7018103
Preview
Coordinates | 7018103.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H18 S2 |
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Calculated formula | C24 H18 S2 |
SMILES | S(c1ccc2c3c(ccc(Sc4ccccc4)c13)CC2)c1ccccc1 |
Title of publication | Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation. |
Authors of publication | Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 11 |
Pages of publication | 3141 - 3153 |
a | 11.794 ± 0.006 Å |
b | 10.806 ± 0.006 Å |
c | 28.856 ± 0.017 Å |
α | 90° |
β | 93.435 ± 0.015° |
γ | 90° |
Cell volume | 3671 ± 4 Å3 |
Cell temperature | 125 K |
Ambient diffraction temperature | 125 K |
Number of distinct elements | 3 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for significantly intense reflections | 0.1116 |
Weighted residual factors for all reflections included in the refinement | 0.3176 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7018103.html
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