Crystallography Open Database

Information card for entry 7133134

Preview

Coordinates	7133134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 F3 O7 S
Calculated formula	C18 H23 F3 O7 S
Title of publication	Macrocyclization of carbon dioxide with 3-triflyloxybenzynes and tetrahydrofuran: straightforward access to 14-membered macrolactones.
Authors of publication	Liu, Hongjian; Jiang, Huanfeng; Qi, Chaorong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	52
Pages of publication	6639 - 6642
a	8.8302 ± 0.0005 Å
b	11.4492 ± 0.0006 Å
c	20.293 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2051.6 ± 0.19 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7133134.html