Crystallography Open Database

Information card for entry 7232691

Preview

Coordinates	7232691.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(triphenylacetyl)glycylamino(1-cyclohexyl)ethane
Formula	C30 H34 N2 O2
Calculated formula	C30 H34 N2 O2
Title of publication	Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints
Authors of publication	Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	22
Pages of publication	3420
a	9.6669 ± 0.0003 Å
b	14.8741 ± 0.0006 Å
c	19.1839 ± 0.0006 Å
α	86.367 ± 0.004°
β	81.808 ± 0.003°
γ	71.038 ± 0.003°
Cell volume	2581.65 ± 0.16 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223495 (current)	2019-11-07	cif/ Updating files of 7232683, 7232684, 7232685, 7232686, 7232687, 7232688, 7232689, 7232690, 7232691, 7232692, 7232693, 7232694 Original log message: Adding full bibliography for 7232683--7232694.cif.	7232691.cif
214867	2019-05-01	cif/ Adding structures of 7232683, 7232684, 7232685, 7232686, 7232687, 7232688, 7232689, 7232690, 7232691, 7232692, 7232693, 7232694 via cif-deposit CGI script.	7232691.cif