Crystallography Open Database

Information card for entry 2004201

2004200 << 2004201 >> 2004202

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Coordinates	2004201.cif
Original IUCr paper	HTML

Structure parameters

Formula	C29 H32 N6 O4
Calculated formula	C29 H32 N6 O5
Title of publication	7-[3-(Dibenzylamino)-2-hydroxypropyl]-8-(furfurylamino)theophylline
Authors of publication	Karczmarzyk, Z.; Karolak-Wojciechowska, J.; Pawlowski, M.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	12
Pages of publication	2608 - 2610
a	9.432 ± 0.001 Å
b	12.08 ± 0.002 Å
c	12.542 ± 0.002 Å
α	97.98 ± 0.01°
β	96.42 ± 0.01°
γ	107.87 ± 0.01°
Cell volume	1328.7 ± 0.4 Å³
Cell temperature	293 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	0.0563
Weighted residual factors for significantly intense reflections	0.0723
Goodness-of-fit parameter for significantly intense reflections	1.49
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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