Crystallography Open Database

Information card for entry 7232684

Preview

Coordinates	7232684.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(triphenylacetyl)-L-alanine
Formula	C23 H21 N O3
Calculated formula	C23 H21 N O3
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	13.1517 ± 0.0002 Å
b	9.5286 ± 0.0001 Å
c	15.2352 ± 0.0002 Å
α	90°
β	91.793 ± 0.001°
γ	90°
Cell volume	1908.3 ± 0.04 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0357
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	7232684.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.	7232684.cif