Crystallography Open Database

Information card for entry 7130299

Preview

Coordinates	7130299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11 N O2
Calculated formula	C13 H11 N O2
SMILES	O1C(=O)c2n(c3c(c2)cccc3)CC1C=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	18.836 ± 0.0012 Å
b	7.3826 ± 0.0005 Å
c	17.1906 ± 0.0011 Å
α	90°
β	115.542 ± 0.001°
γ	90°
Cell volume	2156.9 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1569
Weighted residual factors for all reflections included in the refinement	0.1603
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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.	7130299.cif