Crystallography Open Database

Information card for entry 2312348

Preview

Structure parameters

Chemical name	<i>N</i>-Triphenylacetyl-<i>L</i>-tyrosine dichloromethane monosolvate
Formula	C30 H27 Cl2 N O4
Calculated formula	C30 H27 Cl2 N O4
SMILES	ClCCl.OC(=O)[C@@H](NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccc(O)cc1
Title of publication	Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.
Authors of publication	Czapik, Agnieszka; Kwit, Marcin
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2021
Journal volume	77
Journal issue	Pt 12
Pages of publication	745 - 756
a	10.04475 ± 0.00013 Å
b	9.82563 ± 0.00012 Å
c	14.59465 ± 0.00018 Å
α	90°
β	108.742 ± 0.0013°
γ	90°
Cell volume	1364.05 ± 0.03 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
287487 (current)	2023-11-08	cif/ hkl/ Adding structures of 2312347, 2312348, 2312349, 2312350, 2312351 via cif-deposit CGI script.	2312348.cif 2312348.hkl