Crystallography Open Database

Information card for entry 1545171

Preview

Coordinates	1545171.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tsuchida-02
Formula	C20 H17 N2 O4
Calculated formula	C20 H18 N2 O4
SMILES	c12ccccc1c1c([C@@H]([C@H]([C@H]1c1ccccc1)N(=O)=O)CC(=O)OC)[nH]2
Title of publication	Catalytic Asymmetric Synthesis of Chiral 2-Vinylindole Scaffolds by Friedel-Crafts Reaction.
Authors of publication	Arai, Takayoshi; Tsuchida, Akiko; Miyazaki, Tomoya; Awata, Atsuko
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	4
Pages of publication	758 - 761
a	32.711 ± 0.005 Å
b	5.6403 ± 0.0007 Å
c	9.9643 ± 0.0013 Å
α	90°
β	107.296 ± 0.003°
γ	90°
Cell volume	1755.3 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1313
Goodness-of-fit parameter for all reflections included in the refinement	1.241
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
193647 (current)	2017-03-04	cif/ Updating files of 1545171 Original log message: Adding full bibliography for 1545171.cif.	1545171.cif
191130	2017-01-31	cif/ Adding structures of 1545171 via cif-deposit CGI script.	1545171.cif