Crystallography Open Database

Information card for entry 7246935

Preview

Coordinates	7246935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H29 N2 O11.5 Zn2
Calculated formula	C29 H29 N2 O11.5 Zn2
Title of publication	Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry
Authors of publication	Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	26
Pages of publication	3714 - 3717
a	9.3469 ± 0.0004 Å
b	9.976 ± 0.0004 Å
c	17.9902 ± 0.0008 Å
α	79.743 ± 0.001°
β	86.729 ± 0.001°
γ	67.295 ± 0.001°
Cell volume	1522.64 ± 0.11 Å³
Cell temperature	189 ± 2 K
Ambient diffraction temperature	189 ± 2 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	0.0529
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286114 (current)	2023-09-05	cif/ Updating files of 7246935, 7246936, 7246937, 7246938 Original log message: Adding full bibliography for 7246935--7246938.cif.	7246935.cif
284599	2023-06-29	cif/ Adding structures of 7246935, 7246936, 7246937, 7246938 via cif-deposit CGI script.	7246935.cif