Crystallography Open Database

Information card for entry 4021985

4021984 << 4021985 >> 4021986

Preview

Coordinates	4021985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H45 I3 O3
Calculated formula	C39 H45 I3 O3
Title of publication	Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence
Authors of publication	Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	7858 - 7861
a	19.844 ± 0.005 Å
b	19.844 ± 0.005 Å
c	19.844 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	7814 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0809
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71069 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/4021985.html