Crystallography Open Database

Information card for entry 1529291

Preview

Coordinates	1529291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H98 Cl6 O12 P4
Calculated formula	C164 H98 Cl6 O12 P4
Title of publication	Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities
Authors of publication	Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	11
Pages of publication	6373
a	21.98 ± 0.005 Å
b	17.101 ± 0.004 Å
c	17.472 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6567 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
170994 (current)	2015-12-09	cif/ Updating files of 1529286, 1529287, 1529288, 1529289, 1529290, 1529291, 1529292 Original log message: Adding full bibliography for 1529286--1529292.cif.	1529291.cif
152539	2015-07-25	cif/ Adding structures of 1529286, 1529287, 1529288, 1529289, 1529290, 1529291, 1529292 via cif-deposit CGI script.	1529291.cif