Crystallography Open Database

Information card for entry 1571359

Preview

Coordinates	1571359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H37 N9 O4
Calculated formula	C34 H37 N9 O4
Title of publication	<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.
Authors of publication	Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	10
Pages of publication	3610 - 3615
a	24.616 ± 0.0007 Å
b	13.0934 ± 0.0005 Å
c	9.9979 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3222.39 ± 0.18 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 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	0.0468
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation probe	x-ray
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
290771 (current)	2024-04-04	cif/ Adding structures of 1571356, 1571357, 1571358, 1571359, 1571360, 1571361 via cif-deposit CGI script.	1571359.cif