Crystallography Open Database

Information card for entry 1505905

Preview

Coordinates	1505905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.5 H40 N5 O10.5
Calculated formula	C39.5 H40 N5 O10.5
Title of publication	Synthesis and anion binding properties of N,N'-bispyrrol-2-yl-2,5-diamidopyrrole.
Authors of publication	Sessler, Jonathan L.; Pantos, G. Dan; Gale, Philip A.; Light, Mark E.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	8
Pages of publication	1593 - 1596
a	9.8674 ± 0.0016 Å
b	11.449 ± 0.003 Å
c	17.359 ± 0.006 Å
α	102.14 ± 0.02°
β	105.57 ± 0.02°
γ	95.79 ± 0.02°
Cell volume	1820.9 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1674
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.1817
Weighted residual factors for all reflections included in the refinement	0.224
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505905.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505905.cif
47841	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505905 via cif-deposit CGI script.	1505905.cif