Crystallography Open Database

Information card for entry 7110333

Preview

Coordinates	7110333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32
Calculated formula	C40 H32
SMILES	c1ccccc1/C(=C(\c1ccccc1)c1ccccc1c1ccc(cc1)C)c1ccccc1c1ccc(cc1)C
Title of publication	Stereoselective synthesis of folded luminogens with arene-arene stacking interactions and aggregation-enhanced emission
Authors of publication	Zujin Zhao; Bairong He; Han Nie; Bin Chen; Ping Lu; Anjun Qin; Ben Zhong Tang
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	1131
a	9.63 ± 0.0005 Å
b	9.2473 ± 0.0005 Å
c	33.2387 ± 0.0017 Å
α	90°
β	97.115 ± 0.005°
γ	90°
Cell volume	2937.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1532
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7110333.html