Crystallography Open Database

Information card for entry 4130994

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Coordinates	4130994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 N O4 S
Calculated formula	C23 H27 N O4 S
Title of publication	New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.
Authors of publication	Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	41
Pages of publication	13501 - 13504
a	9.2982 ± 0.0005 Å
b	17.6122 ± 0.0011 Å
c	25.4699 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4171 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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