Crystallography Open Database

Information card for entry 4028343

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Coordinates	4028343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H34 Br N O4
Calculated formula	C26 H34 Br N O4
Title of publication	A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans
Authors of publication	François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	6075 - 6103
a	15.8103 ± 0.0008 Å
b	5.1284 ± 0.0003 Å
c	30.3621 ± 0.0017 Å
α	90°
β	95.038 ± 0.002°
γ	90°
Cell volume	2452.3 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0476
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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