Crystallography Open Database

Information card for entry 7222305

Preview

Coordinates	7222305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H44 N2 O2
Calculated formula	C54 H44 N2 O2
SMILES	C(=O)(C(c1ccccc1)(c1ccccc1)c1ccccc1)N[C@H](c1ccccc1)[C@@H](c1ccccc1)NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Double helicity induction in chiral bis(triphenylacetamides)
Authors of publication	Kwit, Marcin; Rychlewska, Urszula; Prusinowska, Natalia; Bendzińska-Berus, Wioletta; Warżajtis, Beata; Gajewy, Jadwiga; Szymkowiak, Joanna; Jelecki, Maciej
Journal of publication	RSC Adv.
Year of publication	2015
a	9.4437 ± 0.0001 Å
b	15.706 ± 0.0002 Å
c	13.4756 ± 0.0002 Å
α	90°
β	93.428 ± 0.001°
γ	90°
Cell volume	1995.16 ± 0.04 Å³
Cell temperature	295 ± 1 K
Ambient diffraction temperature	295 ± 1 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	0.031
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0789
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222305.cif
158423	2015-09-26	cif/ Adding structures of 7222302, 7222303, 7222304, 7222305, 7222306 via cif-deposit CGI script.	7222305.cif