Crystallography Open Database

Information card for entry 7244575

Preview

Coordinates	7244575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 N2
Calculated formula	C22 H14 N2
SMILES	N#CC(=C\c1c2ccccc2cc2ccccc12)/c1ncccc1
Title of publication	Pyridine Nitrogen Position Controlled Molecular Packing and Stimuli-responsive Solid-State Fluorescence Switching: Supramolecular Complexation Facilitated Turn-on Fluorescence
Authors of publication	Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip
Journal of publication	CrystEngComm
Year of publication	2022
a	16.071 ± 0.003 Å
b	8.368 ± 0.0017 Å
c	23.949 ± 0.005 Å
α	90°
β	102.49 ± 0.03°
γ	90°
Cell volume	3144.5 ± 1.1 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1753
Weighted residual factors for all reflections included in the refinement	0.1804
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.63 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273537 (current)	2022-03-09	cif/ Adding structures of 7244575, 7244576, 7244577, 7244578 via cif-deposit CGI script.	7244575.cif