Information card for entry 2017904
Chemical name
4,4',5,5'-tetrakis(4-<i>tert</i>-butylphenyl)-2,2'-<i>m</i>-phenylenedi- 1,3-oxazole
Formula
C52 H56 N2 O2
Calculated formula
C52 H56 N2 O2
SMILES
o1c(nc(c1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)c1cccc(c1)c1oc(c(n1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
Title of publication
The <i>m</i>-phenylene-bridged bis-oxazole 4,4',5,5'-tetraphenyl-2,2'-<i>m</i>-phenylenedi-1,3-oxazole and its bulkily substituted analogue 4,4',5,5'-tetrakis(4-<i>tert</i>-butylphenyl)-2,2'-<i>m</i>-phenylenedi-1,3-oxazole
Authors of publication
Hübscher, Jörg; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin
Journal of publication
Acta Crystallographica Section C
Year of publication
2010
Journal volume
66
Journal issue
12
Pages of publication
o623 - o626
a
10.3121 ± 0.0003 Å
b
11.1215 ± 0.0003 Å
c
19.8676 ± 0.0006 Å
α
91.593 ± 0.002°
β
96.918 ± 0.002°
γ
108.463 ± 0.002°
Cell volume
2140.25 ± 0.11 Å3
Cell temperature
153 ± 2 K
Ambient diffraction temperature
153 ± 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
0.1165
Residual factor for significantly intense reflections
0.0569
Weighted residual factors for significantly intense reflections
0.1439
Weighted residual factors for all reflections included in the refinement
0.1801
Goodness-of-fit parameter for all reflections included in the refinement
1.02
Diffraction radiation wavelength
0.71073 Å
Diffraction radiation type
MoKα
Has coordinates
Yes
Has disorder
No
Has Fobs
Yes
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2017904.html