Crystallography Open Database

Information card for entry 7158716

Preview

Coordinates	7158716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H24 O4
Calculated formula	C37 H24 O4
SMILES	c12C(=O)c3ccccc3c1c1C(=O)c3ccccc3c1c1c2C(c2c(C1=O)cccc2)(c1ccc(C(C)C)cc1)O
Title of publication	Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.
Authors of publication	Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2022
Journal volume	20
Journal issue	24
Pages of publication	4964 - 4969
a	8.297 ± 0.0004 Å
b	12.8462 ± 0.0007 Å
c	13.7948 ± 0.0007 Å
α	114.993 ± 0.0016°
β	93.9003 ± 0.0016°
γ	100.751 ± 0.0018°
Cell volume	1291.33 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0936
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
276672 (current)	2022-07-06	cif/ Updating files of 7158713, 7158714, 7158715, 7158716, 7158717, 7158718, 7158719, 7158720, 7158721 Original log message: Adding full bibliography for 7158713--7158721.cif.	7158716.cif
275699	2022-05-31	cif/ Adding structures of 7158713, 7158714, 7158715, 7158716, 7158717, 7158718, 7158719, 7158720, 7158721 via cif-deposit CGI script.	7158716.cif