Crystallography Open Database

Information card for entry 1560216

Preview

Coordinates	1560216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H16 S2
Calculated formula	C30 H16 S2
SMILES	c1cccc2c1ccc1c2c2c(ccc3c2c2c(cc3)sc3c2c2c(cc3)cccc2)s1
Title of publication	Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes
Authors of publication	Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	8
Pages of publication	2784 - 2793
a	9.338 ± 0.003 Å
b	13.622 ± 0.003 Å
c	16.299 ± 0.004 Å
α	90°
β	102.204 ± 0.007°
γ	90°
Cell volume	2026.4 ± 0.9 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263683 (current)	2021-04-05	cif/ Updating files of 1560212, 1560213, 1560214, 1560215, 1560216, 1560217 Original log message: Adding full bibliography for 1560212--1560217.cif.	1560216.cif
261314	2021-01-30	cif/ Adding structures of 1560212, 1560213, 1560214, 1560215, 1560216, 1560217 via cif-deposit CGI script.	1560216.cif