Crystallography Open Database

Information card for entry 7112025

7112024 << 7112025 >> 7112026

Preview

Coordinates	7112025.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	keinan-106 (Senthil)
Formula	C30.25 H38.5 Cl0.5 N4 O2.5 S2
Calculated formula	C30.25 H38.5 Cl0.5 N4 O2.5 S2
Title of publication	Multifarenes: new modular cavitands
Authors of publication	Galit Parvari; Senthilmurugan Annamalai; Iris Borovoi; Helena Chechik; Mark Botoshansky; Doron Pappo; Ehud Keinan
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2494
a	27.239 ± 0.006 Å
b	14.56 ± 0.003 Å
c	19.951 ± 0.004 Å
α	90°
β	120.2 ± 0.03°
γ	90°
Cell volume	6839 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1092
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.2504
Weighted residual factors for all reflections included in the refinement	0.2704
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7112025.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112025.cif
103350	2014-03-03	cif/ Adding structures of 7112023, 7112024, 7112025 via cif-deposit CGI script.	7112025.cif