Crystallography Open Database

Information card for entry 7228379

Preview

Coordinates	7228379.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)
Chemical name	1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)
Formula	C39.83 H34.25 N3.42 O6
Calculated formula	C39.83 H34.245 N3.415 O6
Title of publication	Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state
Authors of publication	Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke
Journal of publication	CrystEngComm
Year of publication	2017
a	15.939 ± 0.0007 Å
b	11.9019 ± 0.0007 Å
c	17.5127 ± 0.0009 Å
α	90°
β	102.591 ± 0.004°
γ	90°
Cell volume	3242.3 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.1505
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
197186 (current)	2017-06-03	cif/ Adding structures of 7228373, 7228374, 7228375, 7228376, 7228377, 7228378, 7228379, 7228380 via cif-deposit CGI script.	7228379.cif