Crystallography Open Database

Information card for entry 1574544

Preview

Coordinates	1574544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C135.25 H144.75 Cl3 O4.88
Calculated formula	C136.5 H139 Cl3 O3
Title of publication	Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism
Authors of publication	Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	22
Pages of publication	9978 - 9987
a	23.0691 ± 0.0005 Å
b	30.9414 ± 0.0006 Å
c	33.7278 ± 0.0013 Å
α	90°
β	95.416 ± 0.003°
γ	90°
Cell volume	23967.1 ± 1.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
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	0.192
Residual factor for significantly intense reflections	0.1299
Weighted residual factors for significantly intense reflections	0.2646
Weighted residual factors for all reflections included in the refinement	0.2968
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300557 (current)	2025-07-06	cif/ Updating files of 1574540, 1574541, 1574542, 1574543, 1574544 Original log message: Adding full bibliography for 1574540--1574544.cif.	1574544.cif
299439	2025-04-29	cif/ Adding structures of 1574540, 1574541, 1574542, 1574543, 1574544 via cif-deposit CGI script.	1574544.cif