Crystallography Open Database

Information card for entry 1572203

Preview

Coordinates	1572203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 F2 N
Calculated formula	C30 H27 F2 N
Title of publication	Double strain-release enables formal C-O/C-F and C-N/C-F ring-opening metathesis.
Authors of publication	Zhu, Yulei; Jia, Jie; Song, Xiangyu; Gong, Chunyu; Xia, Ying
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	34
Pages of publication	13800 - 13806
a	8.2817 ± 0.0006 Å
b	12.1775 ± 0.0011 Å
c	24.094 ± 0.002 Å
α	90°
β	94.072 ± 0.003°
γ	90°
Cell volume	2423.8 ± 0.3 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1264
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1694
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
294497 (current)	2024-09-06	cif/ Updating files of 1572203 Original log message: Adding full bibliography for 1572203.cif.	1572203.cif
293569	2024-07-28	cif/ Adding structures of 1572203 via cif-deposit CGI script.	1572203.cif