Crystallography Open Database

Information card for entry 1504766

Preview

Coordinates	1504766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H51 N3 O3
Calculated formula	C54 H48 N3 O3
Title of publication	One-pot synthesis of cyclic triamides with a triangular cavity from trans-stilbene and diphenylacetylene monomers.
Authors of publication	Yokoyama, Akihiro; Maruyama, Takurou; Tagami, Kei; Masu, Hyuma; Katagiri, Kosuke; Azumaya, Isao; Yokozawa, Tsutomu
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	15
Pages of publication	3207 - 3210
a	56.489 ± 0.009 Å
b	10.027 ± 0.0015 Å
c	32.895 ± 0.005 Å
α	90°
β	91.584 ± 0.004°
γ	90°
Cell volume	18625 ± 5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
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	0.2702
Residual factor for significantly intense reflections	0.1042
Weighted residual factors for significantly intense reflections	0.2336
Weighted residual factors for all reflections included in the refinement	0.2964
Goodness-of-fit parameter for all reflections included in the refinement	0.894
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.	1504766.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504766.cif
42347	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504766 via cif-deposit CGI script.	1504766.cif