Crystallography Open Database

Information card for entry 7003989

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Coordinates	7003989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H68 Mo8 N8 O38
Calculated formula	C48 H44 Mo8 N8 O38
Title of publication	A non-photochemical route for the regioselective preparation of rtct-pyridylcyclobutanes via hydrothermal isomerisation promoted by polymolybdates
Authors of publication	Briceño, Alexander; Fulgence, Aaron; Hill, Yennifer; Atencio, Reinaldo
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	25
Pages of publication	3275 - 3278
a	13.015 ± 0.0004 Å
b	20.6053 ± 0.0004 Å
c	12.9391 ± 0.0003 Å
α	90°
β	102.316 ± 0.001°
γ	90°
Cell volume	3390.12 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1265
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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