Crystallography Open Database

Information card for entry 7123558

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Structure parameters

Formula	C19 H26 N2 O4 S
Calculated formula	C19 H26 N2 O4 S
Title of publication	Silver Oxide Mediated Novel SET Oxidative Cyclization: Stereoselective Synthesis of 3-Azabicyclo[n.1.0]alkanes
Authors of publication	Baskaran, Sundarababu; D V, Kirana; Das, Kanak Kanti
Journal of publication	Chemical Communications
Year of publication	2019
a	11.0612 ± 0.0003 Å
b	16.9769 ± 0.0005 Å
c	11.5356 ± 0.0003 Å
α	90°
β	114.213 ± 0.001°
γ	90°
Cell volume	1975.64 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0529
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7123558.cif
215572	2019-05-29	cif/ Adding structures of 7123558 via cif-deposit CGI script.	7123558.cif