Crystallography Open Database

Information card for entry 4133561

Preview

Coordinates	4133561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H139 Br20 I N2 O20
Calculated formula	C126 H139 Br20 I N2 O20
Title of publication	Supramolecular Solid-State Microlaser Constructed from Pillar[5]arene-Based Host-Guest Complex Microcrystals.
Authors of publication	Hua, Bin; Zhou, Wei; Yang, Zhaoliang; Zhang, Zhihua; Shao, Li; Zhu, Haiming; Huang, Feihe
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	46
Pages of publication	15651 - 15654
a	12.3928 ± 0.0006 Å
b	15.6251 ± 0.0007 Å
c	18.2747 ± 0.0009 Å
α	82.203 ± 0.004°
β	81.506 ± 0.004°
γ	76.519 ± 0.004°
Cell volume	3384.5 ± 0.3 Å³
Cell temperature	127.6 K
Ambient diffraction temperature	127.6 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1271
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1686
Weighted residual factors for all reflections included in the refinement	0.2031
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4133561.html