Crystallography Open Database

Information card for entry 7130298

Preview

Coordinates	7130298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H34 Au Cl N2 O
Calculated formula	C25 H34 Au Cl N2 O
SMILES	[Au](Cl)=C1N(c2c(cccc2C(C)C)C(C)C)C=C2N1C(=CC=C2)[C@H](OC)C(C)(C)C
Title of publication	Convenient synthesis of tricyclic N(1)-C(2)-fused oxazino-indolones via [Au(I)] catalyzed hydrocarboxylation of allenes
Authors of publication	Pedrazzani, Riccardo; Pinosa, Emanuele; Bertuzzi, Giulio; MONARI, MAGDA; Lauzon, Samuel; Ollevier, Thierry; Bandini, Marco
Journal of publication	Chemical Communications
Year of publication	2022
a	10.118 ± 0.0014 Å
b	12.94 ± 0.0018 Å
c	19.485 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2551.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0202
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.0537
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
276368 (current)	2022-06-29	cif/ Adding structures of 7130293, 7130294, 7130295, 7130296, 7130297, 7130298, 7130299, 7130300 via cif-deposit CGI script.	7130298.cif