Crystallography Open Database

Information card for entry 4038553

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Structure parameters

Formula	C15 H11 N O4
Calculated formula	C15 H11 N O4
SMILES	O=C1c2c(C3=CC(=O)N(C3=O)CC)cccc2OC=C1
Title of publication	Ruthenium(II)-catalyzed C-H activation of chromones with maleimides to synthesize succinimide/ maleimide-containing chromones.
Authors of publication	Zhou, Yan; Liang, Hong; Sheng, Yaoguang; Wang, Shaoli; Gao, Yi; Zhan, Lingling; Zheng, Zhilong; Yang, Mengjie; Liang, Guang; Zhou, Jianmin; Deng, Jun; Song, Zengqiang
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	10.8933 ± 0.0005 Å
b	11.5767 ± 0.0005 Å
c	11.8325 ± 0.0006 Å
α	76.19 ± 0.004°
β	70.082 ± 0.004°
γ	67.095 ± 0.004°
Cell volume	1282.56 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4038553.cif
254036	2020-07-07	cif/ Adding structures of 4038553 via cif-deposit CGI script.	4038553.cif