Crystallography Open Database

Information card for entry 7208249

7208248 << 7208249 >> 7208250

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Coordinates	7208249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H64 N8 O12
Calculated formula	C43 H64 N8 O12
Title of publication	Revisiting paracetamol in a quest for new co-crystals
Authors of publication	André, Vânia; M. da Piedade, M. Fátima; Duarte, M. Teresa
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	15
Pages of publication	5005
a	9.3456 ± 0.001 Å
b	15.431 ± 0.0017 Å
c	16.3804 ± 0.0018 Å
α	86.584 ± 0.003°
β	73.955 ± 0.003°
γ	84.942 ± 0.003°
Cell volume	2259.9 ± 0.4 Å³
Cell temperature	227 ± 2 K
Ambient diffraction temperature	227 ± 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	0.0995
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	0.939
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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