Crystallography Open Database

Information card for entry 2202324

2202323 << 2202324 >> 2202325

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Structure parameters

Chemical name	3-Isopropylidene-tetracyclo[3.2.0.0^2,7^.0^4,6^]heptan-1,5,6,7- tetracarboxylic acid tetrakis(diethylamide)
Formula	C30 H48 N4 O4
Calculated formula	C30 H48 N4 O4
SMILES	CCN(C(=O)[C@]12C3[C@@]1(C(=O)N(CC)CC)[C@@]1([C@@]2(C(=O)N(CC)CC)C1C3=C(C)C)C(=O)N(CC)CC)CC
Title of publication	A tetrakis(tertiary amide) derivative of quadricyclane: 3-isopropylidene-tetracyclo[3.2.0.0^2,7^.0^4,6^]heptan-1,5,6,7-tetracarboxylic acid tetrakis(diethylamide)
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	o1103 - o1105
a	10.8375 ± 0.0008 Å
b	11.6922 ± 0.0008 Å
c	13.7337 ± 0.001 Å
α	109.065 ± 0.003°
β	101.073 ± 0.003°
γ	106.8 ± 0.003°
Cell volume	1493.6 ± 0.2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0606
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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