Crystallography Open Database

Information card for entry 2017919

2017918 << 2017919 >> 2017920

Preview

Coordinates	2017919.cif
Original IUCr paper	HTML

Structure parameters

Formula	C23 H26 F2 N2 O4
Calculated formula	C22.512 H26 F1.955 Is27.357 N1.971 O3.892
Title of publication	<i>N</i>-{<i>N</i>-[2-(3,5-Difluorophenyl)acetyl]-(<i>S</i>)-alanyl}-(<i>S</i>)-phenylglycine <i>tert</i>-butyl ester (DAPT): an inhibitor of γ-secretase, revealing fine electronic and hydrogen-bonding features
Authors of publication	Czerwinski, Andrzej; Valenzuela, Francisco; Afonine, Pavel; Dauter, Miroslawa; Dauter, Zbigniew
Journal of publication	Acta Crystallographica Section C
Year of publication	2010
Journal volume	66
Journal issue	12
Pages of publication	o585 - o588
a	5.49 Å
b	15.72 Å
c	24.82 Å
α	90°
β	90°
γ	90°
Cell volume	2142.03 Å³
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209312 (current)	2018-07-31	cif/2/ Updating space group information in entries 2017919, 2211194, 2219668, 2227269, 2241164.	2017919.cif
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2017919.cif
152639	2015-07-30	cif/ (saulius@koala.ibt.lt) Correcting syntax in the 7105832.cif and 2017919.cif CIFs.	2017919.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2017919.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2017919.cif
5770	2011-01-06	../uploads/cif-deposit/cod/cif Adding structures of 2017910, 2017911, 2017912, 2017913, 2017914, 2017915, 2017916, 2017917, 2017918, 2017919 via cif-deposit CGI script.	2017919.cif