Crystallography Open Database

Information card for entry 7062416

Preview

Coordinates	7062416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 N O4 S
Calculated formula	C24 H21 N O4 S
Title of publication	Ring expansion/opening reactions of epoxy ene-amides: access to azabicyclononene, tetrahydropyridine and tetrazole scaffolds
Authors of publication	Suraj,; Swamy, K. C. Kumara
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	19
Pages of publication	9061 - 9065
a	5.9615 ± 0.0002 Å
b	14.5594 ± 0.0007 Å
c	23.8714 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2071.94 ± 0.15 Å³
Cell temperature	297.4 ± 0.5 K
Ambient diffraction temperature	297.4 ± 0.5 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1321
Residual factor for significantly intense reflections	0.0952
Weighted residual factors for significantly intense reflections	0.2346
Weighted residual factors for all reflections included in the refinement	0.2916
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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