Crystallography Open Database

Information card for entry 8105464

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Coordinates	8105464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H42 Au2 F2 N2 O2 P2 S2
Calculated formula	C44 H42 Au2 F2 N2 O2 P2 S2
Title of publication	Crystal structure of 2-tert-butyl 1-methyl 5-{4-[(methoxycarbonyl)amino]phenyl}-2,5-dihydro-1H-pyrrole-1,2-dicarboxylate, C19H24N2O6
Authors of publication	Caracelli, Ignez; Zukerman-Schpector, Julio; Garcia, Ariel L. Llanes; Correia, Carlos Roque D.; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1351 - 1354
a	8.8035 ± 0.0002 Å
b	11.4764 ± 0.0003 Å
c	21.2293 ± 0.0006 Å
α	83.55 ± 0.002°
β	82.256 ± 0.002°
γ	83.793 ± 0.002°
Cell volume	2102.4 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0577
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

Version history

Revision	Date	Message	Files
276170 (current)	2022-06-23	cif/ Adding structures of 8105464 via cif-deposit CGI script.	8105464.cif