Crystallography Open Database

Information card for entry 7246647

Preview

Coordinates	7246647.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Famciclovir-fumaric acid (2:2) Form I
Formula	C18 H23 N5 O8
Calculated formula	C18 H23 N5 O8
Title of publication	Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum
Authors of publication	Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	17
Pages of publication	2662 - 2678
a	11.237 ± 0.006 Å
b	13.848 ± 0.008 Å
c	15.127 ± 0.009 Å
α	67.99 ± 0.02°
β	87.32 ± 0.02°
γ	66.84 ± 0.03°
Cell volume	1992 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0585
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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