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Information card for entry 1543453
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1543453.cif |
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Original paper (by DOI) | HTML |
Formula | C60 H58 Cl4 N4 O2 |
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Calculated formula | C60 H58 Cl4 N4 O2 |
SMILES | Clc1c(Cl)cccc1.Clc1c(Cl)cccc1.O=C1c2c(N(c3cc4c(N(c5ccc6n(c7c(c6c5C4=O)cccc7)CCCC)CCCC)cc13)CCCC)ccc1n(c3c(c21)cccc3)CCCC |
Title of publication | Highly Crystalline Films of Organic Small Molecules with Alkyl Chains Fabricated by Weak Epitaxy Growth. |
Authors of publication | Zhu, Yangjie; Chen, Weiping; Wang, Tong; Wang, Haibo; Wang, Yue; Yan, Donghang |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2016 |
Journal volume | 120 |
Journal issue | 18 |
Pages of publication | 4310 - 4318 |
a | 9.0158 ± 0.0006 Å |
b | 12.2248 ± 0.0007 Å |
c | 13.1669 ± 0.0008 Å |
α | 108.203 ± 0.001° |
β | 99.324 ± 0.001° |
γ | 107.088 ± 0.001° |
Cell volume | 1265.2 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0781 |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for significantly intense reflections | 0.1792 |
Weighted residual factors for all reflections included in the refinement | 0.1993 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 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/1543453.html
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