Crystallography Open Database

Information card for entry 1520518

1520517 << 1520518 >> 1520519

Preview

Coordinates	1520518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H41 N3 O4
Calculated formula	C43 H41 N3 O4
SMILES	c1ccccc1CN1c2ccccc2[C@](C1=O)(c1cn(c2c1cccc2)Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1.CC(=O)OCC.c1ccccc1CN1c2ccccc2[C@@](C1=O)(c1cn(c2c1cccc2)Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1.CC(=O)OCC
Title of publication	Tf~2~NH-Catalyzed Amide Synthesis from Vinyl Azides and Alcohols
Authors of publication	Zhang, Feng-Lian; Zhu, Xu; Chiba, Shunsuke
Journal of publication	Organic Letters
Year of publication	2015
Journal volume	17
Journal issue	12
Pages of publication	3138 - 3141
a	31.617 ± 0.014 Å
b	15.428 ± 0.007 Å
c	14.478 ± 0.006 Å
α	90°
β	101.899 ± 0.005°
γ	90°
Cell volume	6910 ± 5 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.1227
Residual factor for significantly intense reflections	0.0834
Weighted residual factors for significantly intense reflections	0.2157
Weighted residual factors for all reflections included in the refinement	0.2538
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
180537 (current)	2016-03-27	cif/1/52/05/ (antanas@kurmis) Updating bibliography and removing misspelled bibliography tags from entry 1520518.	1520518.cif
141404	2015-07-09	cif/ Updating files of 1520518 Original log message: Adding full bibliography for 1520518.cif.	1520518.cif
139110	2015-06-12	cif/ Adding structures of 1520518 via cif-deposit CGI script.	1520518.cif