Crystallography Open Database

Information card for entry 7150629

Preview

Coordinates	7150629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 Br2 N0 O6
Calculated formula	C26 H26 Br2 O6
Title of publication	A new domino autocatalytic reaction leading to polyfunctionalized spiro[5.5]undecanes and dispiro[4.2.5.2]pentadecanes
Authors of publication	Jiang, Bo; Hao, Wen-Juan; Zhang, Jin-Peng; Tu, Shu-Jiang; Shi, Feng
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2009
Journal volume	7
Journal issue	10
Pages of publication	2195 - 2201
a	7.356 ± 0.003 Å
b	12.59 ± 0.005 Å
c	14.852 ± 0.006 Å
α	69.787 ± 0.006°
β	87.415 ± 0.007°
γ	79.243 ± 0.006°
Cell volume	1267.8 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2196
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1455
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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