Crystallography Open Database

Information card for entry 1574540

Preview

Coordinates	1574540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C137.5 H141 Cl5 O2
Calculated formula	C137.5 H136 Cl5 O2
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	34.8651 ± 0.0007 Å
b	29.9134 ± 0.0006 Å
c	11.7879 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	12294 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.0863
Weighted residual factors for significantly intense reflections	0.1943
Weighted residual factors for all reflections included in the refinement	0.2012
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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.	1574540.cif
299439	2025-04-29	cif/ Adding structures of 1574540, 1574541, 1574542, 1574543, 1574544 via cif-deposit CGI script.	1574540.cif