Crystallography Open Database

Information card for entry 4020855

4020854 << 4020855 >> 4020856

Preview

Coordinates	4020855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H40 N4 O6
Calculated formula	C39 H40 N4 O6
SMILES	O=C(Nc1ccc2c3c(C4(c5c(ccc(c5)NC(=O)C)c5c4cc(NC(=O)C)cc5)c2c1)cc(cc3)NC(=O)C)C.C(=O)(C)C.C(=O)(C)C
Title of publication	Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 9,9'-Spirobifluorene
Authors of publication	Jean-Hugues Fournier; Thierry Maris; James D. Wuest
Journal of publication	Journal of Organic Chemistry
Year of publication	2004
Journal volume	69
Pages of publication	1762 - 1775
a	20.504 ± 0.008 Å
b	12.287 ± 0.0007 Å
c	16.889 ± 0.0004 Å
α	90°
β	120.36 ± 0.05°
γ	90°
Cell volume	3671.4 ± 1.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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