Crystallography Open Database

Information card for entry 1505861

Preview

Coordinates	1505861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H60 N4 O8
Calculated formula	C32 H60 N3.956 O8
Title of publication	From nonfunctional lamellae to functional nanotubes.
Authors of publication	Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	7
Pages of publication	1271 - 1274
a	10.7741 ± 0.0007 Å
b	12.4712 ± 0.0008 Å
c	14.9297 ± 0.001 Å
α	68.438 ± 0.001°
β	71.439 ± 0.001°
γ	68.545 ± 0.001°
Cell volume	1696.74 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1339
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1505861.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505861.cif
47800	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505861 via cif-deposit CGI script.	1505861.cif