Crystallography Open Database

Information card for entry 7221772

Preview

Structure parameters

Formula	C30 H21 O6 P3
Calculated formula	C30 H21 O6 P3
SMILES	c12ccc(o1)P(=O)(c1ccc(o1)P(=O)(c1ccc(o1)P2(=O)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Phenylphosphinacalix[3]trifuran: synthesis, coordination and application in the Suzuki-Miyaura cross-coupling reaction in water
Authors of publication	Sun, Yue; Yan, Meng-Qi; Liu, Yan; Lian, Ze-Yu; Meng, Tong; chen, Jian; Liu, Shenghua; Yu, Guang-Ao
Journal of publication	RSC Adv.
Year of publication	2015
a	8.664 ± 0.003 Å
b	12.433 ± 0.005 Å
c	13.034 ± 0.005 Å
α	90.964 ± 0.006°
β	90.323 ± 0.006°
γ	106.542 ± 0.006°
Cell volume	1345.6 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0909
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.2008
Weighted residual factors for all reflections included in the refinement	0.228
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
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.	7221772.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7221772.cif
153356	2015-08-12	cif/ Adding structures of 7221772, 7221773, 7221774, 7221775 via cif-deposit CGI script.	7221772.cif