Crystallography Open Database

Information card for entry 1505301

Preview

Structure parameters

Formula	C52 H44
Calculated formula	C52 H44
SMILES	c12ccc3c(c4Cc5ccccc5c4c(c3c1c1c(c3c4ccccc4Cc3c(c1cc2)C(C)(C)C)c1ccccc1)c1ccccc1)C(C)(C)C
Title of publication	Synthesis and structures of diindeno-fused 1,12-diphenylbenzo[c]phenanthrene and 1,14-diphenyl[5]helicene bearing severe helical twists.
Authors of publication	Zhang, Yanzhong; Petersen, Jeffrey L.; Wang, Kung K.
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	6
Pages of publication	1025 - 1028
a	9.4794 ± 0.0006 Å
b	12.9657 ± 0.0009 Å
c	16.3977 ± 0.0011 Å
α	96.245 ± 0.001°
β	103.061 ± 0.001°
γ	103.806 ± 0.001°
Cell volume	1878.1 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1164
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1594
Weighted residual factors for all reflections included in the refinement	0.1903
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1505301.html