Crystallography Open Database

Information card for entry 4511839

Preview

Coordinates	4511839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H82 O7
Calculated formula	C69.468 H80.936 O6.734
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	10.9784 ± 0.0005 Å
b	14.2909 ± 0.0006 Å
c	19.6702 ± 0.0009 Å
α	98.144 ± 0.002°
β	95.506 ± 0.002°
γ	107.769 ± 0.002°
Cell volume	2877.3 ± 0.2 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	0.1147
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1681
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4511839.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.	4511839.cif
122378	2014-08-22	cif/ Adding structures of 4511839 via cif-deposit CGI script.	4511839.cif