Crystallography Open Database

Information card for entry 2311505

Preview

Coordinates	2311505.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Diethyl 3,3'-[(2-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)
Formula	C29 H25 F N2 O4
Calculated formula	C29 H25 F N2 O4
SMILES	Fc1c(C(c2c3ccccc3[nH]c2C(=O)OCC)c2c3ccccc3[nH]c2C(=O)OCC)cccc1
Title of publication	Crystal structure of diethyl 3,3'-[(2-fluoro-phen-yl)methyl-idene]bis-(1<i>H</i>-indole-2-carboxyl-ate).
Authors of publication	Lu, Xin-Hua; Sun, Hong-Shun; Cai, Yuan; Chen, Lu-Lu; Chen, Yang-Feng
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 11
Pages of publication	1790 - 1792
a	8.8 ± 0.0018 Å
b	9.661 ± 0.0019 Å
c	15.369 ± 0.003 Å
α	75.68 ± 0.03°
β	85.44 ± 0.03°
γ	83.68 ± 0.03°
Cell volume	1256.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1222
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1622
Weighted residual factors for all reflections included in the refinement	0.1859
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245940 (current)	2019-12-25	cif/ Adding structures of 2311505 via cif-deposit CGI script.	2311505.cif