Crystallography Open Database

Information card for entry 7226247

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Structure parameters

Formula	C27 H22 O3
Calculated formula	C27 H22 O3
SMILES	O1c2ccccc2C(c2c1cccc2)(c1ccc(OC)cc1)c1ccc(OC)cc1
Title of publication	Palladium-Copper Catalyzed C(sp3)-C(sp2) Bond C-H Activation Cross-Coupling Reaction: Selective Arylation to Synthesis 9-Aryl-9H-Xanthene and 9,9-Diaryl-Xanthene Derivatives
Authors of publication	Shen, Guodong; Zhao, Lingyu; Wang, Yichen; Xia, Wenfang; Yang, Minsen; Zhang, Tongxin
Journal of publication	RSC Adv.
Year of publication	2016
a	15.5095 ± 0.0011 Å
b	14.4666 ± 0.001 Å
c	18.4758 ± 0.0015 Å
α	90°
β	99.08 ± 0.007°
γ	90°
Cell volume	4093.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0735
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7226247.cif
185821	2016-08-16	cif/ Adding structures of 7226247 via cif-deposit CGI script.	7226247.cif