Crystallography Open Database

Information card for entry 7051280

Preview

Coordinates	7051280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	?
Calculated formula	C72 H60 N4
Title of publication	A practical approach to stereodefined cyclopropyl-substituted heteroarenes using a Suzuki-type reaction
Authors of publication	Yao, Min-Liang; Deng, Min-Zhi
Journal of publication	New Journal of Chemistry
Year of publication	2000
Journal volume	24
Journal issue	6
Pages of publication	425
a	12.064 ± 0.003 Å
b	12.797 ± 0.002 Å
c	9.794 ± 0.003 Å
α	102.99 ± 0.02°
β	97.17 ± 0.02°
γ	68.7 ± 0.02°
Cell volume	1371.1 ± 0.6 Å³
Cell temperature	20 K
Ambient diffraction temperature	20 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.045
Goodness-of-fit parameter for significantly intense reflections	1.39
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288156 (current)	2023-12-07	cif/7/ Corrected the misspelt variants of the '_diffrn_standards_decay_%' data name in entries 7008963, 7008964, 7010171, 7010172, 7028687, 7028689, 7028690, 7028940, 7035844, 7051280, 7130783, 7216946.	7051280.cif
192778	2017-03-02	cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5003). The correction was mainly focused on removing misspelt versions of the '_exptl_crystal_F_000' data item.	7051280.cif
180066	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/12.	7051280.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7051280.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7051280.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	7051280.cif
3898	2010-12-09	cif/ Adding the files from the 2004-2000-RSC/ processing directory identified for redeposition. Last page numbers were restored manually from the command line.	7051280.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.	7051280.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	7051280.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	7051280.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	7051280.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	7051280.cif