Crystallography Open Database

Information card for entry 7231834

Preview

Coordinates	7231834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H33 N3 O6
Calculated formula	C26 H33 N3 O6
Title of publication	Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association
Authors of publication	Giri, Rajat Subhra; Mandal, Bhubaneswar
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	2
Pages of publication	236
a	15.407 ± 0.002 Å
b	5.8843 ± 0.0006 Å
c	15.664 ± 0.002 Å
α	90°
β	114.753 ± 0.018°
γ	90°
Cell volume	1289.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1038
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.1949
Weighted residual factors for all reflections included in the refinement	0.2202
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
223593 (current)	2019-11-07	cif/ Updating files of 7231834, 7231835 Original log message: Adding full bibliography for 7231834--7231835.cif.	7231834.cif
212079	2018-11-21	cif/ Adding structures of 7231834, 7231835 via cif-deposit CGI script.	7231834.cif