Crystallography Open Database

Information card for entry 1501986

1501985 << 1501986 >> 1501987

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Coordinates	1501986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H26 N6 O
Calculated formula	C44 H26 N6 O
Title of publication	Quinoline-annulated porphyrins.
Authors of publication	Akhigbe, Joshua; Zeller, Matthias; Brückner, Christian
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	6
Pages of publication	1322 - 1325
a	25.595 ± 0.006 Å
b	9.572 ± 0.002 Å
c	25.369 ± 0.006 Å
α	90°
β	97.71 ± 0.004°
γ	90°
Cell volume	6159 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.1531
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.1786
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1501986.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501986.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501986.cif
35319	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501986 via cif-deposit CGI script.	1501986.cif