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Information card for entry 1503058
Preview
Coordinates | 1503058.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H50 Fe2 O2 |
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Calculated formula | C72 H50 Fe2 O2 |
SMILES | [Fe]12345678([cH]9[c]1([cH]2[cH]7[cH]89)C#Cc1c2Oc7c(cccc7C#Cc7c8c(c(c9c7cccc9)C#Cc7c9Oc%10c(C#C[c]%11%12[cH]%13[Fe]%14%15%16%17%18%19%11([cH]%11[cH]%14[cH]%15[cH]%17[cH]%16%11)[cH]%12[cH]%18[cH]%13%19)cccc%10C(c9ccc7)(C)C)cccc8)C(c2ccc1)(C)C)[cH]1[cH]3[cH]4[cH]6[cH]51 |
Title of publication | Synthesis of anthracene-stacked oligomers and polymer. |
Authors of publication | Morisaki, Yasuhiro; Sawamura, Toshiyuki; Murakami, Takuya; Chujo, Yoshiki |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 14 |
Pages of publication | 3188 - 3191 |
a | 14.141 ± 0.002 Å |
b | 10.6057 ± 0.0017 Å |
c | 18.01 ± 0.003 Å |
α | 90° |
β | 109.354 ± 0.007° |
γ | 90° |
Cell volume | 2548.4 ± 0.7 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1215 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for significantly intense reflections | 0.1095 |
Weighted residual factors for all reflections included in the refinement | 0.1307 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1503058.html
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Users of the data should acknowledge the original authors of the
structural data.