Crystallography Open Database

Information card for entry 7247580

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Coordinates	7247580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 Br N O4
Calculated formula	C15 H16 Br N O4
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	4.7204 ± 0.0001 Å
b	21.155 ± 0.0005 Å
c	15.1364 ± 0.0003 Å
α	90°
β	92.616 ± 0.002°
γ	90°
Cell volume	1509.95 ± 0.06 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.0491
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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

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