Crystallography Open Database

Information card for entry 7220754

7220753 << 7220754 >> 7220755

Preview

Coordinates	7220754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H29 N O6
Calculated formula	C26 H29 N O6
SMILES	O(CC1c2ccccc2c2ccccc12)C(=O)N[C@H](C(=O)O)Cc1ccccc1.OC.OC
Title of publication	Hydrogels formed from Fmoc amino acids
Authors of publication	Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	42
Pages of publication	8047
a	13.076 ± 0.006 Å
b	4.887 ± 0.002 Å
c	18.998 ± 0.009 Å
α	90°
β	106.417 ± 0.011°
γ	90°
Cell volume	1164.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1548
Residual factor for significantly intense reflections	0.1269
Weighted residual factors for significantly intense reflections	0.3191
Weighted residual factors for all reflections included in the refinement	0.3389
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation probe	x-ray
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
171099 (current)	2015-12-09	cif/ Updating files of 7220753, 7220754, 7220755 Original log message: Adding full bibliography for 7220753--7220755.cif.	7220754.cif
139118	2015-06-12	cif/ Adding structures of 7220753, 7220754, 7220755 via cif-deposit CGI script.	7220754.cif