Crystallography Open Database

Information card for entry 4023588

Preview

Coordinates	4023588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H58 F12 N2 O15 P2
Calculated formula	C42 H58 F12 N2 O15 P2
Title of publication	Syntheses of cis- and trans-Dibenzo-30-Crown-10 Derivatives via Regioselective Routes and Their Complexations with Paraquat and Diquat
Authors of publication	Chunlin He; Zuming Shi; Qizhong Zhou; Shijun Li; Ning Li; Feihe Huang
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	5872 - 5880
a	20.757 ± 0.007 Å
b	10.663 ± 0.002 Å
c	22.319 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4940 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.2549
Residual factor for significantly intense reflections	0.1309
Weighted residual factors for significantly intense reflections	0.3018
Weighted residual factors for all reflections included in the refinement	0.3829
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
178414 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/35.	4023588.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4023588.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4023588.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4023588.cif
762	2009-06-20	cif/4/: Adding CIFs from the J-Org-Chem-2008 deposition.	4023588.cif