Crystallography Open Database

Information card for entry 1567534

Preview

Coordinates	1567534.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4,4'-Methylenebis[<i>N</i>-(2-hydroxy-3-methoxybenzylidene)-2,6-diisopropylaniline]
Formula	C41 H50 N2 O4
Calculated formula	C41 H50 N2 O4
SMILES	Oc1c(/C=N/c2c(cc(cc2C(C)C)Cc2cc(c(/N=C/c3c(O)c(OC)ccc3)c(C(C)C)c2)C(C)C)C(C)C)cccc1OC
Title of publication	4,4'-Methylenebis[<i>N</i>-(2-hydroxy-3-methoxybenzylidene)-2,6-diisopropylaniline]
Authors of publication	Prapakaran, Tulasi; Murugavel, Ramaswamy
Journal of publication	IUCrData
Year of publication	2022
Journal volume	7
Journal issue	8
Pages of publication	x220793
a	6.0155 ± 0.0001 Å
b	16.5935 ± 0.0003 Å
c	19.2093 ± 0.0003 Å
α	101.541 ± 0.002°
β	97.341 ± 0.002°
γ	92.928 ± 0.002°
Cell volume	1857.47 ± 0.06 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
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
277427 (current)	2022-08-27	cif/ Adding structures of 1567534 via cif-deposit CGI script.	1567534.cif