Crystallography Open Database

Information card for entry 7235720

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Coordinates	7235720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H28 N2 O5
Calculated formula	C16 H28 N2 O5
Title of publication	Stereospecific synthetic approach towards Tamiflu using the Ramberg‒Backlund reaction from cysteine hydrochloride
Authors of publication	Chavan, Subhash P.; Chavan, Prakash N.; Gonnade, Rajesh G.
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	107
Pages of publication	62281
a	5.0614 ± 0.0019 Å
b	17.562 ± 0.006 Å
c	19.408 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	1725.1 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1696
Residual factor for significantly intense reflections	0.0967
Weighted residual factors for significantly intense reflections	0.2631
Weighted residual factors for all reflections included in the refinement	0.3175
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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