Crystallography Open Database

Information card for entry 1518451

Preview

Coordinates	1518451.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	FmocFF
Formula	C33 H31.75 N2 O5.88
Calculated formula	C33 H30 N2 O5.845
Title of publication	The effect of solvent choice on the gelation and final hydrogel properties of Fmoc-diphenylalanine.
Authors of publication	Raeburn, Jaclyn; Mendoza-Cuenca, Cristina; Cattoz, Beatrice N.; Little, Marc A.; Terry, Ann E.; Zamith Cardoso, Andre; Griffiths, Peter C.; Adams, Dave J.
Journal of publication	Soft matter
Year of publication	2015
Journal volume	11
Journal issue	5
Pages of publication	927 - 935
a	52.27 ± 0.06 Å
b	5.01 ± 0.006 Å
c	22.83 ± 0.03 Å
α	90°
β	105.49 ± 0.03°
γ	90°
Cell volume	5761 ± 12 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.2274
Residual factor for significantly intense reflections	0.1027
Weighted residual factors for significantly intense reflections	0.2387
Weighted residual factors for all reflections included in the refinement	0.3134
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6889 Å
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.	1518451.cif
131141	2015-02-04	cif/ Updating files of 1518451 Original log message: Adding full bibliography for 1518451.cif.	1518451.cif
128824	2014-12-18	cif/ Adding structures of 1518451 via cif-deposit CGI script.	1518451.cif