Crystallography Open Database

Information card for entry 7133879

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Coordinates	7133879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 F2 O5 S2
Calculated formula	C19 H14 F2 O5 S2
Title of publication	Accessing structurally diverse aryl difluoromethyl ethers with bromo(difluoro)acetic acid.
Authors of publication	Kumawat, Sandeep; Natte, Kishore
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	94
Pages of publication	13935 - 13938
a	7.2477 ± 0.0002 Å
b	9.2848 ± 0.0003 Å
c	14.6674 ± 0.0004 Å
α	99.987 ± 0.001°
β	97.544 ± 0.001°
γ	105.341 ± 0.001°
Cell volume	920.97 ± 0.05 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0665
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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