Crystallography Open Database

Information card for entry 4511831

Preview

Coordinates	4511831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H69 N O3
Calculated formula	C63 H69 N O3
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	26.9959 ± 0.0012 Å
b	24.2344 ± 0.0011 Å
c	18.7233 ± 0.0008 Å
α	90°
β	120.515 ± 0.001°
γ	90°
Cell volume	10552.8 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.078
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.16
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	4511831.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.	4511831.cif
122370	2014-08-22	cif/ Adding structures of 4511831 via cif-deposit CGI script.	4511831.cif