Crystallography Open Database

Information card for entry 7244577

Preview

Coordinates	7244577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H22 N2 O3 S
Calculated formula	C29 H22 N2 O3 S
SMILES	N#C/C(=C\c1c2ccccc2cc2ccccc12)c1[nH+]cccc1.S(=O)(=O)([O-])c1ccc(cc1)C
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	6.739 ± 0.0014 Å
b	11.596 ± 0.002 Å
c	15.268 ± 0.003 Å
α	103.81 ± 0.03°
β	92.11 ± 0.03°
γ	95.34 ± 0.03°
Cell volume	1151.5 ± 0.4 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	7244577.cif