Crystallography Open Database

Information card for entry 7111491

Preview

Coordinates	7111491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H99 Cl4 N36 O29.5
Calculated formula	C72 H72 Cl4 N36 O29.5
Title of publication	Template directed photodimerization of trans-1,2-bis(n-pyridyl)ethylenes and stilbazoles in water
Authors of publication	Pattabiraman, Mahesh; Natarajan, Arunkumar; Kaliappan, Raja; Mague, Joel T.; Ramamurthy, V.
Journal of publication	Chemical Communications
Year of publication	2005
Journal issue	36
Pages of publication	4542 - 4544
a	12.938 ± 0.002 Å
b	14.613 ± 0.002 Å
c	25.703 ± 0.004 Å
α	88.608 ± 0.002°
β	89.882 ± 0.002°
γ	76.149 ± 0.002°
Cell volume	4716.8 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1932
Residual factor for significantly intense reflections	0.1289
Weighted residual factors for significantly intense reflections	0.3559
Weighted residual factors for all reflections included in the refinement	0.3856
Goodness-of-fit parameter for all reflections included in the refinement	1.27
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111491.cif
96542	2014-01-29	cif/ Adding structures of 7111491 via cif-deposit CGI script.	7111491.cif