Crystallography Open Database

Information card for entry 2243936

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Structure parameters

Chemical name	(8<i>E</i>,22<i>E</i>)-4,4,12,18,18,26-Hexamethyl-3,5,17,19-tetraoxa-8,13,22,27-tetraaza-4,18-disilatricyclo[22.4.0.0^10,15^]octacosa-1(24),8,10,12,14,22,25,27-octaene-11,25-diol
Formula	C24 H36 N4 O6 Si2
Calculated formula	C24 H36 N4 O6 Si2
SMILES	C[Si]1(C)OCc2c(c(c(C)nc2)O)/C=N/CCO[Si](OCc2c(c(c(C)nc2)O)/C=N/CCO1)(C)C
Title of publication	Formation of a macrocycle from dichlorodimethylsilane and a pyridoxalimine Schiff base ligand
Authors of publication	Böhme, Uwe; Schwarzer, Anke; Günther, Betty
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	11
a	12.9641 ± 0.0008 Å
b	16.8966 ± 0.0007 Å
c	13.1085 ± 0.0008 Å
α	90°
β	101.198 ± 0.005°
γ	90°
Cell volume	2816.7 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/c 1
Hall space group symbol	-I 2yc
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
269939 (current)	2021-10-14	cif/ hkl/ Adding structures of 2243936 via cif-deposit CGI script.	2243936.cif 2243936.hkl