Crystallography Open Database

Information card for entry 1505859

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Structure parameters

Formula	C32 H66 N2 O4
Calculated formula	C32 H66 N2 O4
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	7.0712 ± 0.0005 Å
b	45.852 ± 0.003 Å
c	10.6972 ± 0.0007 Å
α	90°
β	91.535 ± 0.001°
γ	90°
Cell volume	3467.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1312
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.1693
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1505859.cif
176729	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.	1505859.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505859.cif
47798	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505859 via cif-deposit CGI script.	1505859.cif