Crystallography Open Database

Information card for entry 1573080

Preview

Coordinates	1573080.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1,4-Bis(neopentyloxy)pillar[5]arene
Formula	C95 H140 N2 O10
Calculated formula	C95 H140 N2 O10
Title of publication	Structural insights into 1,4-bis(neopentyloxy)pillar[5]arene and the pyridine host–guest system
Authors of publication	Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	11
Pages of publication	x241073
a	47.848 ± 0.005 Å
b	14.2452 ± 0.0014 Å
c	27.679 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	18866 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1504
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1548
Weighted residual factors for all reflections included in the refinement	0.1921
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1573080.cif
295860	2024-11-09	cif/ Adding structures of 1573080 via cif-deposit CGI script.	1573080.cif