Crystallography Open Database

Information card for entry 7063134

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Coordinates	7063134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H37 N3 O8
Calculated formula	C37 H37 N3 O8
Title of publication	Oxazoline amino acid bioconjugates: One-pot synthesis and analysis of supramolecular interactions
Authors of publication	Bakija, Marija; Peric, Berislav; Kirin, Srećko I.
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	18.864 ± 0.0002 Å
b	18.864 ± 0.0002 Å
c	19.6976 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	7009.4 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.1149
Residual factor for significantly intense reflections	0.0852
Weighted residual factors for significantly intense reflections	0.2386
Weighted residual factors for all reflections included in the refinement	0.2762
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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