Crystallography Open Database

Information card for entry 2003860

2003859 << 2003860 >> 2003861

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Coordinates	2003860.cif
Original IUCr paper	HTML

Structure parameters

Formula	C20 H28 N4 O2
Calculated formula	C20 H28 N4 O2
Title of publication	8-(Noradamantan-3-yl)-1,3-dipropylxanthine
Authors of publication	Nagahara, Y.; Hirayama, N.; Matsumiya, S.; Kono, M.; Shimada, J.; Suzuki, F.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	9
Pages of publication	1955 - 1957
a	9.557 ± 0.001 Å
b	13.58 ± 0.001 Å
c	8.29 ± 0.001 Å
α	90.819 ± 0.007°
β	112.97 ± 0.01°
γ	97.737 ± 0.007°
Cell volume	978.95 ± 0.19 Å³
Cell temperature	295 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 significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.0815
Goodness-of-fit parameter for significantly intense reflections	0.801
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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