Crystallography Open Database

Information card for entry 4503028

Preview

Coordinates	4503028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H43 Cl3 F12 N4
Calculated formula	C53 H43 Cl3 F12 N4
Title of publication	Quinoacridine derivatives with one-dimensional aggregation-induced red emission property.
Authors of publication	Javed, Iqbal; Zhou, Tianlei; Muhammad, Faheem; Guo, Jianhua; Zhang, Hongyu; Wang, Yue
Journal of publication	Langmuir : the ACS journal of surfaces and colloids
Year of publication	2012
Journal volume	28
Journal issue	2
Pages of publication	1439 - 1446
a	35.547 ± 0.007 Å
b	12.551 ± 0.003 Å
c	27.19 ± 0.005 Å
α	90°
β	121.67 ± 0.03°
γ	90°
Cell volume	10324 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1145
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1924
Weighted residual factors for all reflections included in the refinement	0.2216
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179561 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/30.	4503028.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503028.cif
37835	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4503028 via cif-deposit CGI script.	4503028.cif