Crystallography Open Database

Information card for entry 7134246

Preview

Coordinates	7134246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24
Calculated formula	C36 H24
Title of publication	Heptene end-capped Thiele hydrocarbons with tunable configuration and emission and on-surface transformation <i>via</i> annulation.
Authors of publication	Shu, Yilin; Huang, Jianmin; Yang, Junfang; Shangguan, Zhichun; Ma, Junlong; Li, Cheng; Zhang, Guanxin; Peng, Qian; Zhang, Xi-Sha; Fan, Qitang; Wang, Bing; Zhang, Deqing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	20
Pages of publication	3994 - 3997
a	9.2666 ± 0.0003 Å
b	10.944 ± 0.0003 Å
c	13.7572 ± 0.0004 Å
α	72.986 ± 0.002°
β	78.424 ± 0.003°
γ	66.751 ± 0.003°
Cell volume	1220 ± 0.07 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 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	0.0462
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298774 (current)	2025-04-05	cif/ Updating files of 7134240, 7134241, 7134242, 7134243, 7134244, 7134245, 7134246 Original log message: Adding full bibliography for 7134240--7134246.cif.	7134246.cif
297624	2025-02-07	cif/ Adding structures of 7134240, 7134241, 7134242, 7134243, 7134244, 7134245, 7134246 via cif-deposit CGI script.	7134246.cif