Crystallography Open Database

Information card for entry 7220273

7220272 << 7220273 >> 7220274

Preview

Coordinates	7220273.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C-methyl tetramethoxy resorcinarene bis-crown-5 dichloromethane methanol solvate
Chemical name	C-methyl tetramethoxy resorcinarene bis-crown-5 dichloromethane methanol solvate
Formula	C54 H74 Cl2 O15
Calculated formula	C54 H74 Cl2 O15
Title of publication	Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5
Authors of publication	Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	19
Pages of publication	3667
a	17.9718 ± 0.0004 Å
b	19.3215 ± 0.0003 Å
c	15.5981 ± 0.0002 Å
α	90°
β	102.183 ± 0.0017°
γ	90°
Cell volume	5294.33 ± 0.16 Å³
Cell temperature	123.01 ± 0.1 K
Ambient diffraction temperature	123.01 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1117
Residual factor for significantly intense reflections	0.0932
Weighted residual factors for significantly intense reflections	0.2789
Weighted residual factors for all reflections included in the refinement	0.2996
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
138556 (current)	2015-06-07	cif/ Updating files of 7220270, 7220271, 7220272, 7220273, 7220274, 7220275, 7220276, 7220277, 7220278, 7220279 Original log message: Adding full bibliography for 7220270--7220279.cif.	7220273.cif
135815	2015-05-09	cif/ Adding structures of 7220270, 7220271, 7220272, 7220273, 7220274, 7220275, 7220276, 7220277, 7220278, 7220279 via cif-deposit CGI script.	7220273.cif