Crystallography Open Database

Information card for entry 1555212

Preview

Coordinates	1555212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 O3
Calculated formula	C24 H24 O3
SMILES	O(C(=O)C12Cc3ccccc3C1=C(C1(C2)CCOCC1)c1ccccc1)C
Title of publication	Photocatalytic decarboxylative [2 + 2 + 1] annulation of 1,6-enynes with N-hydroxyphthalimide esters for the synthesis of indene-containing polycyclic compounds
Authors of publication	Jiao, Meng-Jie; Liu, Dan; Hu, Xiu-Qin; Xu, Peng-Fei
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	23
Pages of publication	3834
a	10.0558 ± 0.0007 Å
b	10.1395 ± 0.0005 Å
c	18.5575 ± 0.001 Å
α	90°
β	98.819 ± 0.006°
γ	90°
Cell volume	1869.77 ± 0.19 Å³
Cell temperature	292.9 ± 0.1 K
Ambient diffraction temperature	292.9 ± 0.1 K
Number of distinct elements	3
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	0.1486
Residual factor for significantly intense reflections	0.1088
Weighted residual factors for significantly intense reflections	0.2683
Weighted residual factors for all reflections included in the refinement	0.3231
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
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
238392 (current)	2019-11-24	cif/ Adding structures of 1555212 via cif-deposit CGI script.	1555212.cif