Crystallography Open Database

Information card for entry 7203910

7203909 << 7203910 >> 7203911

Preview

Coordinates	7203910.cif
Original paper (by DOI)	HTML
External links	PubChem

Structure parameters

Chemical name	N-[(2-Triphenylarsoniobenzylidene)]-1-amino-4-methoxybenzene iodide
Formula	C32 H27 As I N O
Calculated formula	C32 H27 As I N O
SMILES	[I-].[As]1([N](=Cc2c1cccc2)c1ccc(OC)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	A copper(i)-catalysed template synthesis of aryl-arsonium and -stibonium systems. Solvatochromic tetraaryl-arsonium and -stibonium iminophenolate betaines
Authors of publication	Allen, David W.; Mifflin, Joanne P.; Hursthouse, Michael B.; Coles, Simon; Hibbs, David E.; Malik, K. M. Abdul
Journal of publication	Journal of Materials Chemistry
Year of publication	2000
Journal volume	10
Journal issue	2
Pages of publication	457
a	10.337 ± 0.002 Å
b	15.297 ± 0.0013 Å
c	17.389 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2749.6 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for all reflections	0.0766
Weighted residual factors for significantly intense reflections	0.0754
Goodness-of-fit parameter for all reflections	0.881
Goodness-of-fit parameter for significantly intense reflections	0.947
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301863 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure.	7203910.cif
180370	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/39.	7203910.cif
171772	2015-12-31	cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries.	7203910.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	7203910.cif
134573	2015-04-01	cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values.	7203910.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203910.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203910.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7203910.cif