Crystallography Open Database

Information card for entry 7063490

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Coordinates	7063490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 Cu N3 O3
Calculated formula	C18 H19 Cu N3 O3
Title of publication	Synthesis and DNA Cleavage studies of Rationally Designed Metallopeptides from N-Salicyl-AA-Picolamide (SAP) and Cu(II) Ion
Authors of publication	Panda, Subhashree Subhadarshini; Kumari, Supriya; Dixit, Manjusha; Sharma, Nagendra K.
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	7.3019 ± 0.0001 Å
b	13.83 ± 0.0002 Å
c	16.2105 ± 0.0002 Å
α	90°
β	94.256 ± 0.001°
γ	90°
Cell volume	1632.51 ± 0.04 Å³
Cell temperature	296.1 ± 0.1 K
Ambient diffraction temperature	296.1 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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