Crystallography Open Database

Information card for entry 7247585

Preview

Coordinates	7247585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 N O3
Calculated formula	C15 H13 N O3
SMILES	O(c1ccc(cc1)/C=N/c1ccc(cc1)C(=O)O)C
Title of publication	New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation
Authors of publication	Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	44
Pages of publication	6185 - 6193
a	3.82566 ± 0.00003 Å
b	15.0716 ± 0.00006 Å
c	21.1995 ± 0.00009 Å
α	90°
β	92.4431 ± 0.0005°
γ	90°
Cell volume	1221.23 ± 0.012 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
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	0.0346
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288773 (current)	2024-01-06	cif/ Updating files of 7247579, 7247580, 7247581, 7247582, 7247583, 7247584, 7247585 Original log message: Adding full bibliography for 7247579--7247585.cif.	7247585.cif
287127	2023-10-27	cif/ Adding structures of 7247579, 7247580, 7247581, 7247582, 7247583, 7247584, 7247585 via cif-deposit CGI script.	7247585.cif