Crystallography Open Database

Information card for entry 7708231

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Coordinates	7708231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 N2 O2 Se2
Calculated formula	C30 H28 N2 O2 Se2
Title of publication	Janus-Faced Oxidant and Antioxidant Profiles of Organo Diselenides
Authors of publication	Upadhyay, Aditya; Jha, Raushan Kumar; BATABYAL, MONOJIT; Dutta, Tanoy; Koner, Apurba Lal; Kumar, Sangit
Journal of publication	Dalton Transactions
Year of publication	2021
a	12.7891 ± 0.0007 Å
b	97.971 ± 0.007 Å
c	8.3096 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	10411.6 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0965
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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