Crystallography Open Database

Information card for entry 1555460

Preview

Coordinates	1555460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62.74 H45.48 Cl1.48
Calculated formula	C62.743 H45.486 Cl1.486
Title of publication	High Fluorescence Efficiencies and Large Stokes Shifts of Folded Fluorophores Consisting of a Pair of Alkenyl-Tethered, π-Stacked Oligo-p-phenylenes.
Authors of publication	He, Bairong; Nie, Han; Chen, Long; Lou, Xiaoding; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	24
Pages of publication	6174 - 6177
a	9.9913 ± 0.0007 Å
b	15.4197 ± 0.0012 Å
c	15.7043 ± 0.0013 Å
α	102.428 ± 0.003°
β	92.308 ± 0.003°
γ	99.776 ± 0.002°
Cell volume	2321 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.1356
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.148
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
238719 (current)	2019-11-24	cif/ Adding structures of 1555460 via cif-deposit CGI script.	1555460.cif