Crystallography Open Database

Information card for entry 4514090

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Coordinates	4514090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H19 N O2
Calculated formula	C25 H19 N O2
Title of publication	Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.
Authors of publication	Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.
Journal of publication	ACS catalysis
Year of publication	2017
Journal volume	7
Journal issue	5
Pages of publication	3668 - 3675
a	4.88608 ± 0.00008 Å
b	39.9585 ± 0.0006 Å
c	9.27521 ± 0.00015 Å
α	90°
β	91.1105 ± 0.0015°
γ	90°
Cell volume	1810.56 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1348
Residual factor for significantly intense reflections	0.091
Weighted residual factors for significantly intense reflections	0.2494
Weighted residual factors for all reflections included in the refinement	0.2737
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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