Crystallography Open Database

Information card for entry 4514091

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Coordinates	4514091.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	9.8574 ± 0.0004 Å
b	10.5363 ± 0.0004 Å
c	19.098 ± 0.0006 Å
α	83.974 ± 0.003°
β	85.964 ± 0.003°
γ	69.875 ± 0.004°
Cell volume	1850.88 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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