Crystallography Open Database

Information card for entry 4020862

4020861 << 4020862 >> 4020863

Preview

Coordinates	4020862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H104 N20 O20
Calculated formula	C73 H104 N20 O20
SMILES	C(COc1cc(ccc1)c1nc(nc(n1)N)N)(COc1cc(ccc1)c1nc(nc(n1)N)N)(COc1cc(ccc1)c1nc(nc(n1)N)N)COc1cc(ccc1)c1nc(nc(n1)N)N.C1OCCOC1.C1COCCO1.C1COCCO1.C1COCCO1.C1COCCO1.C1COCCO1.C1COCCO1.C1COCCO1
Title of publication	Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of Pentaerythrityl Tetraphenyl Ether
Authors of publication	Dominic Laliberté; Thierry Maris; James D. Wuest
Journal of publication	Journal of Organic Chemistry
Year of publication	2004
Journal volume	69
Pages of publication	1776 - 1787
a	27.7337 ± 0.001 Å
b	27.7337 ± 0.001 Å
c	10.4865 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	8065.8 ± 0.5 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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