Crystallography Open Database

Information card for entry 2202325

2202324 << 2202325 >> 2202326

Preview

Structure parameters

Chemical name	3-Isopropylidene-tetracyclo[3.2.0.0^2,7^.0^4,5^]heptane- 1,5,6,7-tetracarboxylic acid tetrakis(tert-butylamide)
Formula	C30 H48 N4 O4
Calculated formula	C30 H48 N4 O4
SMILES	O=C(NC(C)(C)C)C12C3\C(=C(C)/C)C4C1(C4(C23C(=O)NC(C)(C)C)C(=O)NC(C)(C)C)C(=O)NC(C)(C)C
Title of publication	A tetrakis(secondary amide) derivative of quadricyclane: 3-isopropylidene-tetracyclo[3.2.0.0^2,7^.0^4,6^]heptane-1,5,6,7-tetracarboxylic acid tetrakis(<i>tert</i>-butylamide)
Authors of publication	Winkler, Torsten; Herges, Rainer; Jones, Peter G.; Dix, Ina
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	8
Pages of publication	o1106 - o1107
a	9.9831 ± 0.0008 Å
b	12.2324 ± 0.001 Å
c	13.9644 ± 0.001 Å
α	92.574 ± 0.003°
β	106.831 ± 0.003°
γ	105.554 ± 0.003°
Cell volume	1558.5 ± 0.2 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 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	0.0562
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.