Crystallography Open Database

Information card for entry 7224951

Preview

Coordinates	7224951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H15 Cl4 F15 N4
Calculated formula	C39 H15 Cl4 F15 N4
Title of publication	Chiral crystals from porphyrinoids possessing a very low racemization barrier
Authors of publication	Śniechowska, Justyna; Paluch, Piotr; Bujacz, Grzegorz; Górecki, Marcin; Frelek, Jadwiga; Gryko, Daniel T.; Potrzebowski, Marek J.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	20
Pages of publication	3561
a	13.5184 ± 0.0009 Å
b	13.4639 ± 0.0008 Å
c	21.0031 ± 0.0013 Å
α	90°
β	106.412 ± 0.007°
γ	90°
Cell volume	3667 ± 0.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1398
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1653
Weighted residual factors for all reflections included in the refinement	0.1915
Goodness-of-fit parameter for all reflections included in the refinement	0.8832
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
185237 (current)	2016-08-07	cif/ Updating files of 7224951, 7224952 Original log message: Adding full bibliography for 7224951--7224952.cif.	7224951.cif
182212	2016-04-20	cif/ Adding structures of 7224951, 7224952 via cif-deposit CGI script.	7224951.cif