Crystallography Open Database

Information card for entry 7125654

Preview

Coordinates	7125654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H128 F6 N O12 P
Calculated formula	C92 H128 F6 N O12 P
Title of publication	A 2,3-dialkoxynaphthalene-based naphthocage.
Authors of publication	Lu, Song-Bo; Chai, Hongxin; Ward, Jas S.; Quan, Mao; Zhang, Jin; Rissanen, Kari; Luo, Ray; Yang, Liu-Pan; Jiang, Wei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	6
Pages of publication	888 - 891
a	15.7124 ± 0.0006 Å
b	35.8329 ± 0.0017 Å
c	16.5563 ± 0.0007 Å
α	90°
β	90.796 ± 0.004°
γ	90°
Cell volume	9320.6 ± 0.7 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2178
Residual factor for significantly intense reflections	0.176
Weighted residual factors for significantly intense reflections	0.4702
Weighted residual factors for all reflections included in the refinement	0.4931
Goodness-of-fit parameter for all reflections included in the refinement	1.673
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
247600 (current)	2020-02-04	cif/ Updating files of 7125654 Original log message: Adding full bibliography for 7125654.cif.	7125654.cif
245180	2019-12-14	cif/ Adding structures of 7125654 via cif-deposit CGI script.	7125654.cif