Crystallography Open Database

Information card for entry 1501614

Preview

Coordinates	1501614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H80 N8 O16 y
Calculated formula	C61 H83.84 N8 O8 S2
Title of publication	Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks
Authors of publication	Dominic Laliberté; Thierry Maris; James D. Wuest
Journal of publication	Can. J. Chem.
Year of publication	2004
Journal volume	82
Pages of publication	386 - 398
a	17.281 ± 0.002 Å
b	17.281 ± 0.002 Å
c	20.591 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6149.2 ± 1.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.1589
Residual factor for significantly intense reflections	0.0989
Weighted residual factors for significantly intense reflections	0.2505
Weighted residual factors for all reflections included in the refinement	0.2721
Goodness-of-fit parameter for all reflections included in the refinement	1.249
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1501614.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1501614.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501614.cif
26832	2011-09-26	../uploads/cif-deposit/cod/cif Adding structures of 1501609, 1501610, 1501611, 1501612, 1501613, 1501614 via cif-deposit CGI script.	1501614.cif