Crystallography Open Database

Information card for entry 1571356

Preview

Coordinates	1571356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H35 N9 O4
Calculated formula	C33 H35 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	19.0635 ± 0.0002 Å
b	15.8724 ± 0.0002 Å
c	21.4307 ± 0.0002 Å
α	90°
β	91.957 ± 0.001°
γ	90°
Cell volume	6480.79 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0542
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	1571356.cif