Crystallography Open Database

Information card for entry 1560212

Preview

Coordinates	1560212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H16 O2
Calculated formula	C30 H16 O2
SMILES	o1c2c(c3ccccc3cc2)c2c3c(ccc12)ccc1oc2c(c31)c1ccccc1cc2
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	8.1656 ± 0.0012 Å
b	15.1358 ± 0.0014 Å
c	15.7979 ± 0.0016 Å
α	90°
β	102.468 ± 0.0019°
γ	90°
Cell volume	1906.5 ± 0.4 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	1560212.cif
261314	2021-01-30	cif/ Adding structures of 1560212, 1560213, 1560214, 1560215, 1560216, 1560217 via cif-deposit CGI script.	1560212.cif