Crystallography Open Database

Information card for entry 7243779

Preview

Coordinates	7243779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 F12 N6 O2
Calculated formula	C28 H30 F12 N6 O2
Title of publication	Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability
Authors of publication	Basak, Megha; Das, Asesh; Das, Gopal
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	44
Pages of publication	7771 - 7780
a	12.8556 ± 0.0012 Å
b	13.8433 ± 0.0013 Å
c	8.8264 ± 0.0011 Å
α	90°
β	99.395 ± 0.009°
γ	90°
Cell volume	1549.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1976
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.1794
Weighted residual factors for all reflections included in the refinement	0.2657
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
271156 (current)	2021-12-07	cif/ Updating files of 7243777, 7243778, 7243779, 7243780, 7243781 Original log message: Adding full bibliography for 7243777--7243781.cif.	7243779.cif
270114	2021-10-29	cif/ Adding structures of 7243777, 7243778, 7243779, 7243780, 7243781 via cif-deposit CGI script.	7243779.cif