Crystallography Open Database

Information card for entry 7239136

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Structure parameters

Formula	C88 H128 O16
Calculated formula	C88 H128 O16
Title of publication	Undecenyl resorc[4]arene in the chair conformation as preorganized synthon for olefin metathesis
Authors of publication	Ghirga, Francesca; D'Acquarica, Ilaria; Monache, Giuliano Delle; Toscano, Sara; Mannina, Luisa; Sobolev, Anatoly P.; Ugozzoli, Franco; Crocco, Domenico; Antiochia, Riccarda; Botta, Bruno
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	38
Pages of publication	17567
a	12.297 ± 0.005 Å
b	17.946 ± 0.005 Å
c	10.559 ± 0.005 Å
α	100.61 ± 0.005°
β	102.44 ± 0.005°
γ	105.11 ± 0.005°
Cell volume	2124.3 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.134
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.1667
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7239136.cif
244568	2019-11-28	cif/ Adding structures of 7239136 via cif-deposit CGI script.	7239136.cif