Crystallography Open Database

Information card for entry 1542589

Preview

Coordinates	1542589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 N O
Calculated formula	C25 H25 N O
SMILES	N(\C(=C/C(=O)c1ccc(cc1)C)Cc1ccc(cc1)C)c1ccc(cc1)C
Title of publication	Synergistic Rhodium/Copper Catalysis: Synthesis of 1,3-Enynes and N-Aryl Enaminones.
Authors of publication	Wang, Nan-Nan; Huang, Lei-Rong; Hao, Wen-Juan; Zhang, Tian-Shu; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	6
Pages of publication	1298 - 1301
a	11.1357 ± 0.0009 Å
b	10.6585 ± 0.0008 Å
c	17.1362 ± 0.0015 Å
α	90°
β	90.608 ± 0.001°
γ	90°
Cell volume	2033.8 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.1808
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0762
Goodness-of-fit parameter for all reflections included in the refinement	0.944
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
181459 (current)	2016-04-04	cif/ Updating files of 1542589, 1542590 Original log message: Adding full bibliography for 1542589--1542590.cif.	1542589.cif
177096	2016-03-02	cif/ Adding structures of 1542589 via cif-deposit CGI script.	1542589.cif