Crystallography Open Database

Information card for entry 7244576

Preview

Coordinates	7244576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 N2
Calculated formula	C22 H14 N2
SMILES	n1cc(ccc1)C(=C\c1c2ccccc2cc2ccccc12)\C#N
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	10.306 ± 0.002 Å
b	18.839 ± 0.004 Å
c	8.912 ± 0.0018 Å
α	90°
β	112.03 ± 0.03°
γ	90°
Cell volume	1604 ± 0.7 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	3
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	0.0537
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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.	7244576.cif