Crystallography Open Database

Information card for entry 1553802

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Coordinates	1553802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 N4 O6
Calculated formula	C22 H26 N4 O6
Title of publication	Gold(i)-catalyzed access to neomerane skeletons
Authors of publication	Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis
Journal of publication	Organic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	10
Pages of publication	1906
a	19.2372 ± 0.0012 Å
b	19.7853 ± 0.0013 Å
c	12.577 ± 0.0007 Å
α	90°
β	107.983 ± 0.003°
γ	90°
Cell volume	4553.1 ± 0.5 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 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	0.0851
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.2013
Weighted residual factors for all reflections included in the refinement	0.2182
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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