Crystallography Open Database

Information card for entry 1571729

Preview

Coordinates	1571729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C203 H130 Cl8 N16 O5
Calculated formula	C196 H116 N16 O4
Title of publication	Intramolecular exciplex featuring a bis-sp<sup>3</sup> C-locked acceptor-donor-acceptor sandwich.
Authors of publication	Xie, Feng-Ming; Wang, Han-Yang; Li, Hao-Ze; Zhang, Kai; Shen, Yang; Zou, Jianhua; Li, Yan-Qing; Tang, Jian-Xin
Journal of publication	Materials horizons
Year of publication	2024
Journal volume	11
Journal issue	16
Pages of publication	3921 - 3927
a	14.2142 ± 0.0008 Å
b	14.3406 ± 0.0007 Å
c	19.3048 ± 0.0009 Å
α	97.833 ± 0.002°
β	93.512 ± 0.002°
γ	99.176 ± 0.002°
Cell volume	3834.6 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1103
Residual factor for significantly intense reflections	0.083
Weighted residual factors for significantly intense reflections	0.1789
Weighted residual factors for all reflections included in the refinement	0.1942
Goodness-of-fit parameter for all reflections included in the refinement	1.0895
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294647 (current)	2024-09-06	cif/ Updating files of 1571729 Original log message: Adding full bibliography for 1571729.cif.	1571729.cif
292128	2024-05-31	cif/ Adding structures of 1571729 via cif-deposit CGI script.	1571729.cif