Crystallography Open Database

Information card for entry 7102762

Preview

Coordinates	7102762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H54 N4 O4 S
Calculated formula	C35 H54 N4 O4 S
Title of publication	Anion binding vs. sulfonamide deprotonation in functionalised ureas
Authors of publication	Caltagirone, Claudia; Bates, Gareth W.; Gale, Philip A.; Light, Mark E.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2008
Journal issue	1
Pages of publication	61 - 63
a	12.0833 ± 0.0004 Å
b	17.0447 ± 0.0005 Å
c	18.2143 ± 0.0004 Å
α	90°
β	108.808 ± 0.001°
γ	90°
Cell volume	3551.04 ± 0.18 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1737
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.1775
Weighted residual factors for all reflections included in the refinement	0.2223
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7102762.html