Crystallography Open Database

Information card for entry 4514148

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Coordinates	4514148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H15 N5 O
Calculated formula	C9 H15 N5 O
Title of publication	Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.
Authors of publication	Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
Journal of publication	ACS combinatorial science
Year of publication	2017
Journal volume	19
Journal issue	5
Pages of publication	343 - 350
a	12.0138 ± 0.0003 Å
b	11.5538 ± 0.0002 Å
c	16.1111 ± 0.0004 Å
α	90°
β	103.49 ± 0.003°
γ	90°
Cell volume	2174.6 ± 0.09 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1412
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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