Crystallography Open Database

Information card for entry 7153800

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Coordinates	7153800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 N3 O2
Calculated formula	C28 H28 N3 O2
Title of publication	DABCO-mediated isocyanide-based multicomponent reaction: synthesis of highly substituted cyclopentenes.
Authors of publication	Wen, Li-Rong; Lan, Ming-Chao; Yuan, Wen-Kui; Li, Ming
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	26
Pages of publication	4628 - 4632
a	13.772 ± 0.0012 Å
b	27.468 ± 0.002 Å
c	13.3251 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	5040.7 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.1451
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.1624
Weighted residual factors for all reflections included in the refinement	0.1812
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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