Crystallography Open Database

Information card for entry 4023840

Preview

Structure parameters

Formula	C30 H34
Calculated formula	C30 H34
SMILES	C1CCc2ccc(cc2)CCCc2c3cc1c(c2)CCCc1ccc(CCC3)cc1
Title of publication	Optical Resolution, Absolute Configuration, and Chiroptical Properties of Three-Layered [3.3]Paracyclophane
Authors of publication	Atsuya Muranaka; Masahiko Shibahara; Motonori Watanabe; Taisuke Matsumoto; Teruo Shinmyozu; Nagao Kobayashi
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	9125 - 9128
a	10.6091 ± 0.0002 Å
b	10.6091 ± 0.0002 Å
c	39.7099 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	4469.47 ± 0.2 Å³
Cell temperature	153.1 K
Number of distinct elements	2
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.7107 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/4023840.html