Crystallography Open Database

Information card for entry 7247581

Preview

Coordinates	7247581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 N O7 S
Calculated formula	C15 H15 N O7 S
SMILES	S(=O)(=O)([O-])O.O(c1ccc(cc1)/C=[NH+]/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	4.4714 ± 0.0001 Å
b	9.3275 ± 0.0002 Å
c	17.7797 ± 0.0005 Å
α	90°
β	90.109 ± 0.002°
γ	90°
Cell volume	741.54 ± 0.03 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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.	7247581.cif
287127	2023-10-27	cif/ Adding structures of 7247579, 7247580, 7247581, 7247582, 7247583, 7247584, 7247585 via cif-deposit CGI script.	7247581.cif