Crystallography Open Database

Information card for entry 7133765

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Coordinates	7133765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 N4 O5 S
Calculated formula	C21 H26 N4 O5 S
Title of publication	Polarisation effects on the H-bond acceptor properties of sulfonamides.
Authors of publication	Hanna, Fergal E.; Hunter, Christopher A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
a	5.6438 ± 0.0002 Å
b	35.5926 ± 0.0012 Å
c	11.0653 ± 0.0004 Å
α	90°
β	95.787 ± 0.002°
γ	90°
Cell volume	2211.44 ± 0.13 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
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	0.0378
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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