Crystallography Open Database

Information card for entry 4514840

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Coordinates	4514840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 B N O5 S
Calculated formula	C21 H26 B N O5 S
Title of publication	Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters
Authors of publication	Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan
Journal of publication	ACS Catalysis
Year of publication	2019
Journal volume	9
Journal issue	9
Pages of publication	8503
a	9.9417 ± 0.0007 Å
b	9.9417 ± 0.0007 Å
c	18.9939 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	1625.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.1493
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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