Crystallography Open Database

Information card for entry 7126653

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Structure parameters

Formula	C8 H16 F N O4 S2
Calculated formula	C8 H16 F N O4 S2
Title of publication	But-3-ene-1,3-disulfonyl difluoride (BDF): a highly selective SuFEx clickable hub for the quick assembly of sultam-containing aliphatic sulfonyl fluorides.
Authors of publication	Li, Chen; Zheng, Yujie; Rakesh, K. P.; Qin, Hua-Li
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	58
Pages of publication	8075 - 8078
a	12.6609 ± 0.0011 Å
b	10.4865 ± 0.0009 Å
c	9.8417 ± 0.0008 Å
α	90°
β	97.188 ± 0.002°
γ	90°
Cell volume	1296.4 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0774
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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