Crystallography Open Database

Information card for entry 7244578

Preview

Coordinates	7244578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 N2
Calculated formula	C22 H14 N2
SMILES	n1ccc(cc1)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	14.045 ± 0.003 Å
b	12.833 ± 0.003 Å
c	17.198 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3099.8 ± 1.1 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0893
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	0.904
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.	7244578.cif