Information card for entry 2231950
Chemical name |
1,2-Bis(benzyloxy)-1,2-bis(4-chlorophenyl)-3,8-dimethoxyacenaphthene |
Formula |
C40 H32 Cl2 O4 |
Calculated formula |
C40 H32 Cl2 O4 |
SMILES |
Clc1ccc([C@@]2(OCc3ccccc3)c3c(OC)ccc4ccc(OC)c(c34)[C@@]2(OCc2ccccc2)c2ccc(Cl)cc2)cc1 |
Title of publication |
1,2-Bis(benzyloxy)-1,2-bis(4-chlorophenyl)-3,8-dimethoxyacenaphthene |
Authors of publication |
Takada, Teruhisa; Hijikata, Daichi; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
10 |
Pages of publication |
o2562 - o2563 |
a |
10.9773 ± 0.0002 Å |
b |
12.6514 ± 0.0002 Å |
c |
12.9171 ± 0.0002 Å |
α |
102.387 ± 0.001° |
β |
104.899 ± 0.001° |
γ |
103.306 ± 0.001° |
Cell volume |
1614.03 ± 0.05 Å3 |
Cell temperature |
193 ± 2 K |
Ambient diffraction temperature |
193 ± 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 |
0.0387 |
Residual factor for significantly intense reflections |
0.0374 |
Weighted residual factors for significantly intense reflections |
0.1052 |
Weighted residual factors for all reflections included in the refinement |
0.1067 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.058 |
Diffraction radiation wavelength |
1.54187 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2231950.html