Crystallography Open Database

Information card for entry 1555220

Preview

Coordinates	1555220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 O2
Calculated formula	C34 H24 O2
SMILES	O1Cc2c(c3c(cc2)cccc3)c2c(ccc3ccccc23)COc2c(c3c1cccc3)cccc2
Title of publication	Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.
Authors of publication	Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	16
Pages of publication	4098 - 4101
a	11.1679 ± 0.0002 Å
b	24.1852 ± 0.0005 Å
c	9.1499 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2471.37 ± 0.09 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238400 (current)	2019-11-24	cif/ Adding structures of 1555220 via cif-deposit CGI script.	1555220.cif