Crystallography Open Database

Information card for entry 4033524

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Structure parameters

Formula	C26 H21 F2 N O2
Calculated formula	C26 H21 F2 N O2
SMILES	FC(F)(C(=O)c1ccc2ccccc2c1)C(Nc1ccccc1)c1ccc(OC)cc1
Title of publication	Magnesium-Promoted Additions of Difluoroenolates to Unactivated Imines.
Authors of publication	Nguyen, Alex L.; Khatri, Hari R.; Woods, James R.; Baldwin, Cassidy S.; Fronczek, Frank R.; Colby, David A.
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	6
Pages of publication	3109 - 3118
a	5.6561 ± 0.0003 Å
b	9.7402 ± 0.0004 Å
c	19.2384 ± 0.0009 Å
α	102.673 ± 0.003°
β	96.75 ± 0.003°
γ	97.299 ± 0.003°
Cell volume	1014.03 ± 0.08 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 0.5 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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