Crystallography Open Database

Information card for entry 4511830

Preview

Coordinates	4511830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H78 O4
Calculated formula	C68 H78 O4
Title of publication	Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound
Authors of publication	Klien, Henrik; Seichter, Wilhelm; Weber, Edwin
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	9
Pages of publication	4371
a	10.6569 ± 0.0002 Å
b	11.2177 ± 0.0003 Å
c	23.0926 ± 0.0005 Å
α	79.945 ± 0.001°
β	80.684 ± 0.001°
γ	87.827 ± 0.001°
Cell volume	2682.24 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1073
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
179665 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/18.	4511830.cif
122861	2014-09-06	cif/ Updating files of 4511830, 4511831, 4511832, 4511833, 4511834, 4511835, 4511836, 4511837, 4511838, 4511839 Original log message: Adding full bibliography for 4511830--4511839.cif.	4511830.cif
122369	2014-08-22	cif/ Adding structures of 4511830 via cif-deposit CGI script.	4511830.cif