Crystallography Open Database

Information card for entry 7133135

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Coordinates	7133135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 F3 O7 S
Calculated formula	C24 H27 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	13.4729 ± 0.0008 Å
b	13.6729 ± 0.0008 Å
c	14.874 ± 0.0008 Å
α	65.885 ± 0.002°
β	84.653 ± 0.002°
γ	77.547 ± 0.002°
Cell volume	2442 ± 0.2 Å³
Cell temperature	171 K
Ambient diffraction temperature	171 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	0.1601
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1819
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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