Crystallography Open Database

Information card for entry 7150526

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Coordinates	7150526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H124 O12 P4
Calculated formula	C105 H108 O9 P4
Title of publication	Synthesis of a resorcinarene-based tetraphosphine-cavitand and its use in Heck reactions
Authors of publication	Moll, Hani El; Sémeril, David; Matt, Dominique; Youinou, Marie-Thérèse; Toupet, Loïc
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2009
Journal volume	7
Journal issue	3
Pages of publication	495 - 501
a	27.2736 ± 0.001 Å
b	16.3323 ± 0.0009 Å
c	24.0996 ± 0.001 Å
α	90°
β	116.999 ± 0.006°
γ	90°
Cell volume	9565 ± 0.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1643
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.1639
Goodness-of-fit parameter for all reflections included in the refinement	0.752
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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