Crystallography Open Database

Information card for entry 1556172

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Coordinates	1556172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 N O
Calculated formula	C19 H23 N O
Title of publication	Gold meets rhodium: tandem one-pot synthesis of β-disubstituted ketones via Meyer-Schuster rearrangement and asymmetric 1,4-addition.
Authors of publication	Hansmann, Max M.; Hashmi, A Stephen K; Lautens, Mark
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	13
Pages of publication	3226 - 3229
a	6.1008 ± 0.0002 Å
b	7.6894 ± 0.0002 Å
c	17.0974 ± 0.0004 Å
α	90°
β	99.543 ± 0.001°
γ	90°
Cell volume	790.97 ± 0.04 Å³
Cell temperature	215 ± 2 K
Ambient diffraction temperature	215 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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