Crystallography Open Database

Information card for entry 7702270

Preview

Coordinates	7702270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H34 B20 N4 S2
Calculated formula	C12 H34 B20 N4 S2
Title of publication	Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.
Authors of publication	Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	1
Pages of publication	57 - 69
a	6.724 ± 0.0002 Å
b	19.0579 ± 0.0005 Å
c	21.7211 ± 0.0006 Å
α	90°
β	98.581 ± 0.002°
γ	90°
Cell volume	2752.3 ± 0.13 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1068
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247705 (current)	2020-02-04	cif/ Updating files of 7702266, 7702267, 7702268, 7702269, 7702270, 7702271, 7702272, 7702273 Original log message: Adding full bibliography for 7702266--7702273.cif.	7702270.cif
243765	2019-11-27	cif/ Adding structures of 7702266, 7702267, 7702268, 7702269, 7702270, 7702271, 7702272, 7702273 via cif-deposit CGI script.	7702270.cif