Crystallography Open Database

Information card for entry 7156650

Preview

Coordinates	7156650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H164 N20 O18
Calculated formula	C120 H164 N20 O18
Title of publication	Synthesis of diphenylamine macrocycles and their anti-inflammatory effects.
Authors of publication	Chávez-Riveros, Alejandra; Hernández-Vázquez, Eduardo; Nieto-Camacho, Antonio; Ramírez-Apan, Teresa; Miranda, Luis D.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	6
Pages of publication	1423 - 1435
a	27.0176 ± 0.0006 Å
b	36.9735 ± 0.0008 Å
c	14.7072 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	14691.5 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1767
Weighted residual factors for all reflections included in the refinement	0.1927
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
225146 (current)	2019-11-08	cif/ Updating files of 7156650 Original log message: Adding full bibliography for 7156650.cif.	7156650.cif
213178	2019-01-17	cif/ Adding structures of 7156650 via cif-deposit CGI script.	7156650.cif