Crystallography Open Database

Information card for entry 1503427

Preview

Coordinates	1503427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.3 H46.3 Cl3.9 F12 N3 P2
Calculated formula	C56.15 H46.15 Cl3.375 F12 N3 P2
Title of publication	Synthesis and identification of a trimethylenemethane derivative pi-extended with three pyridinyl radicals.
Authors of publication	Matsumoto, Kouzou; Inokuchi, Daisuke; Hirao, Yasukazu; Kurata, Hiroyuki; Sato, Kazunobu; Takui, Takeji; Kubo, Takashi
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	4
Pages of publication	836 - 839
a	17.276 ± 0.005 Å
b	17.432 ± 0.005 Å
c	18.466 ± 0.005 Å
α	90°
β	91.919 ± 0.013°
γ	90°
Cell volume	5558 ± 3 Å³
Cell temperature	200.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.3416
Goodness-of-fit parameter for all reflections included in the refinement	1.305
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1503427.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503427.cif
37298	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503427 via cif-deposit CGI script.	1503427.cif