Crystallography Open Database

Information card for entry 2019311

2019310 << 2019311 >> 2019312

Preview

Coordinates	2019311.cif
Original IUCr paper	HTML

Structure parameters

Common name	Lapatinib ditosylate
Chemical name	4-({3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-6-]5-({[2-(methylsulfonyl)ethyl]azaniumyl}methyl)furan-2-yl[quinazolin-1-ium bis(4-methylbenzenesulfonate)
Formula	C43 H42 Cl F N4 O10 S3
Calculated formula	C43 H42 Cl F N4 O10 S3
Title of publication	Tosylate salts of the anticancer drug lapatinib
Authors of publication	Ravikumar, K.; Sridhar, B.; Nanubolu, Jagadeesh Babu; Rao, A. K. S. Bhujanga; Jyothiprasad, R.
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	1516 - 1523
a	9.2122 ± 0.0006 Å
b	13.2387 ± 0.0009 Å
c	18.3758 ± 0.0012 Å
α	95.387 ± 0.001°
β	92.463 ± 0.001°
γ	100.359 ± 0.001°
Cell volume	2190.7 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0802
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1599
Weighted residual factors for all reflections included in the refinement	0.1735
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019311.cif
92294	2014-01-12	cif/ Adding structures of 2019310, 2019311 via cif-deposit CGI script.	2019311.cif