Crystallography Open Database

Information card for entry 7153142

Preview

Structure parameters

Formula	C44 H42 N O4 S
Calculated formula	C44 H42 N O4 S
Title of publication	Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.
Authors of publication	Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	43
Pages of publication	7522 - 7529
a	16.387 ± 0.003 Å
b	9.477 ± 0.002 Å
c	23.828 ± 0.005 Å
α	90°
β	103.58 ± 0.03°
γ	90°
Cell volume	3597 ± 1.3 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1038
Residual factor for significantly intense reflections	0.0974
Weighted residual factors for significantly intense reflections	0.2276
Weighted residual factors for all reflections included in the refinement	0.2313
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7153142.cif
180317	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/31.	7153142.cif
90702	2013-11-18	cif/ Adding structures of 7153139, 7153140, 7153141, 7153142, 7153143, 7153144, 7153145, 7153146 via cif-deposit CGI script.	7153142.cif