Crystallography Open Database

Information card for entry 1541917

1541916 << 1541917 >> 1541918

Preview

Coordinates	1541917.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pyrene tetralactic acid
Formula	C92 H89 N O20 Zn2
Calculated formula	C92 H89 N O20 Zn2
Title of publication	Remarkably selective and enantiodifferentiating sensing of histidine by a fluorescent homochiral Zn-MOF based on pyrene-tetralactic acid
Authors of publication	Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	5
Pages of publication	3085
a	18.9677 ± 0.0016 Å
b	19.9186 ± 0.0017 Å
c	31.739 ± 0.003 Å
α	90°
β	95.287 ± 0.004°
γ	90°
Cell volume	11940.3 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.2034
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.2191
Weighted residual factors for all reflections included in the refinement	0.2596
Goodness-of-fit parameter for all reflections included in the refinement	0.801
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
182627 (current)	2016-05-06	cif/ Updating files of 1541917 Original log message: Adding full bibliography for 1541917.cif.	1541917.cif
173671	2016-01-08	cif/ Adding structures of 1541917 via cif-deposit CGI script.	1541917.cif