Crystallography Open Database

Information card for entry 7246653

Preview

Coordinates	7246653.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Famciclovir monohydrate
Formula	C14 H21 N5 O5
Calculated formula	C14 H21 N5 O5
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	9.4819 ± 0.0009 Å
b	10.0041 ± 0.0008 Å
c	17.2683 ± 0.0016 Å
α	83.82 ± 0.004°
β	75.769 ± 0.005°
γ	84.708 ± 0.004°
Cell volume	1574.9 ± 0.2 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	0.0936
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7246653.html