Crystallography Open Database

Information card for entry 1569353

Preview

Coordinates	1569353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105.99 H77.99
Calculated formula	C105.993 H77.992
Title of publication	Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: "one-pot" synthesis and chiral resolution.
Authors of publication	Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	29
Pages of publication	7922 - 7927
a	12.6773 ± 0.0003 Å
b	17.7433 ± 0.0004 Å
c	18.0024 ± 0.0004 Å
α	72.511 ± 0.001°
β	77.902 ± 0.001°
γ	82.932 ± 0.002°
Cell volume	3768.61 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1047
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.1801
Weighted residual factors for all reflections included in the refinement	0.2001
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286026 (current)	2023-09-05	cif/ Updating files of 1569350, 1569351, 1569352, 1569353 Original log message: Adding full bibliography for 1569350--1569353.cif.	1569353.cif
284576	2023-06-29	cif/ Adding structures of 1569350, 1569351, 1569352, 1569353 via cif-deposit CGI script.	1569353.cif