Crystallography Open Database

Information card for entry 4123471

Preview

Coordinates	4123471.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Title
Formula	C16 H16 O3
Calculated formula	C16 H16 O3
Title of publication	Catalytic asymmetric dearomatizing redox cross coupling of ketones with aryl hydrazines giving 1,4-diketones.
Authors of publication	Huang, Shenlin; Kötzner, Lisa; De, Chandra Kanta; List, Benjamin
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	10
Pages of publication	3446 - 3449
a	6.7791 ± 0.0002 Å
b	10.1381 ± 0.0004 Å
c	9.7026 ± 0.0003 Å
α	90°
β	105.925 ± 0.0011°
γ	90°
Cell volume	641.24 ± 0.04 Å³
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0797
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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