Crystallography Open Database

Information card for entry 4033482

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Coordinates	4033482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H41 Br N4 O6
Calculated formula	C44 H41 Br N4 O6
Title of publication	(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.
Authors of publication	Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	4
Pages of publication	2293 - 2308
a	10.9679 ± 0.0002 Å
b	17.732 ± 0.0003 Å
c	20.2762 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3943.37 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 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	0.0588
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0789
Goodness-of-fit parameter for all reflections included in the refinement	0.974
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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