Crystallography Open Database

Information card for entry 1555221

Preview

Coordinates	1555221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H22.67 N2 O2.33
Calculated formula	C32 H22.6193 N2 O2.33333
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	10.41941 ± 0.00001 Å
b	18.297 ± 0.0002 Å
c	36.8632 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7027.75 ± 0.12 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.0594
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
238401 (current)	2019-11-24	cif/ Adding structures of 1555221 via cif-deposit CGI script.	1555221.cif