Crystallography Open Database

Information card for entry 1513465

Preview

Coordinates	1513465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91.5 H93.48 N6 O2 Zn
Calculated formula	C91.5 H93.482 N6 O2 Zn
Title of publication	Facile Preparation of β-Haloporphyrins as Useful Precursors of β-Substituted Porphyrins.
Authors of publication	Fujimoto, Keisuke; Yorimitsu, Hideki; Osuka, Atsuhiro
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	3
Pages of publication	972 - 975
a	14.6574 ± 0.0007 Å
b	15.6368 ± 0.0007 Å
c	17.2398 ± 0.0007 Å
α	98.501 ± 0.002°
β	92.026 ± 0.002°
γ	92.976 ± 0.003°
Cell volume	3898.9 ± 0.3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1765
Residual factor for significantly intense reflections	0.1
Weighted residual factors for significantly intense reflections	0.2378
Weighted residual factors for all reflections included in the refinement	0.3082
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1513465.cif
104602	2014-03-11	cif/ Adding structures of 1513465 via cif-deposit CGI script.	1513465.cif