Crystallography Open Database

Information card for entry 1517819

Preview

Coordinates	1517819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H26 N2 O4
Calculated formula	C19 H26 N2 O4
Title of publication	Enantioselective Deprotonative Ring Contraction of N1-Methyl-N4-Boc-benzo[e][1,4]diazepine-2,5-diones.
Authors of publication	Antolak, Stephanie A.; Yao, Zhong-Ke; Richoux, Gary M.; Slebodnick, Carla; Carlier, Paul R.
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	19
Pages of publication	5204 - 5207
a	11.7191 ± 0.0002 Å
b	14.4137 ± 0.0003 Å
c	22.2809 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3763.59 ± 0.12 Å³
Cell temperature	99.9 ± 0.14 K
Ambient diffraction temperature	99.9 ± 0.14 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517819.cif
124914	2014-10-06	cif/ Updating files of 1517816, 1517817, 1517818, 1517819 Original log message: Adding full bibliography for 1517816--1517819.cif.	1517819.cif
124188	2014-09-24	cif/ Adding structures of 1517819 via cif-deposit CGI script.	1517819.cif