Crystallography Open Database

Information card for entry 1507007

Preview

Coordinates	1507007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H81 Br N8 O9
Calculated formula	C87.885 H36.5 Br0.9 N8 O8.7575
Title of publication	Oligobisvelcraplex: self-assembled linear oligomer by solvophobic pi-pistacking interaction of bisvelcrands based on resorcin[4]arene.
Authors of publication	Ihm, Hyejae; Ahn, Jae-Suk; Lah, Myoung Soo; Ko, Young Ho; Paek, Kyungsoo
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	22
Pages of publication	3893 - 3896
a	36.82 ± 0.003 Å
b	29.693 ± 0.003 Å
c	38.2 ± 0.003 Å
α	90°
β	113.646 ± 0.002°
γ	90°
Cell volume	38257 ± 6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.4691
Residual factor for significantly intense reflections	0.2233
Weighted residual factors for significantly intense reflections	0.5004
Weighted residual factors for all reflections included in the refinement	0.5895
Goodness-of-fit parameter for all reflections included in the refinement	1.296
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.	1507007.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507007.cif
51604	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507007 via cif-deposit CGI script.	1507007.cif