Crystallography Open Database

Information card for entry 1555222

Preview

Coordinates	1555222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H22 N2 O2
Calculated formula	C32 H22 N2 O2
SMILES	O1Cc2ncccc2c2c(nccc2)COc2c(c3ccccc3cc2)c2c3c(cccc3)ccc12
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	7.9491 ± 0.0005 Å
b	16.7592 ± 0.001 Å
c	18.1848 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2422.6 ± 0.2 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
238402 (current)	2019-11-24	cif/ Adding structures of 1555222 via cif-deposit CGI script.	1555222.cif