Crystallography Open Database

Information card for entry 7120436

7120435 << 7120436 >> 7120437

Preview

Coordinates	7120436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H26 F3 N3 O8
Calculated formula	C37.05 H26.07 F3.005 N3 O8.01
Title of publication	One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds
Authors of publication	Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo
Journal of publication	Chem. Commun.
Year of publication	2017
a	11.935 ± 0.002 Å
b	10.508 ± 0.002 Å
c	27.362 ± 0.006 Å
α	90°
β	99.943 ± 0.003°
γ	90°
Cell volume	3380 ± 1.1 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.0859
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1861
Weighted residual factors for all reflections included in the refinement	0.2068
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
198655 (current)	2017-07-12	cif/ Adding structures of 7120422, 7120423, 7120424, 7120425, 7120426, 7120427, 7120428, 7120429, 7120430, 7120431, 7120432, 7120433, 7120434, 7120435, 7120436 via cif-deposit CGI script.	7120436.cif