Crystallography Open Database

Information card for entry 1567978

Preview

Coordinates	1567978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H72 P2
Calculated formula	C36 H72 P2
SMILES	P12CCCCCCCCCCCCP(CCCCCCCCCCCC1)CCCCCCCCCCCC2
Title of publication	Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out
Authors of publication	Zhu, Yun; Stollenz, Michael; Zarcone, Samuel R.; Kharel, Sugam; Joshi, Hemant; Bhuvanesh, Nattamai; Reibenspies, Joseph H.; Gladysz, John A.
Journal of publication	Chemical Science
Year of publication	2022
a	9.2062 ± 0.0004 Å
b	9.321 ± 0.0004 Å
c	25.5135 ± 0.0011 Å
α	85.783 ± 0.002°
β	82.881 ± 0.002°
γ	60.977 ± 0.001°
Cell volume	1899.43 ± 0.14 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
279331 (current)	2022-11-17	cif/ Adding structures of 1567978, 1567979, 1567980, 1567981 via cif-deposit CGI script.	1567978.cif