Crystallography Open Database

Information card for entry 7156385

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Coordinates	7156385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 N O
Calculated formula	C21 H21 N O
Title of publication	Thermally-induced intramolecular [2 + 2] cycloaddition of acrylamide-tethered alkylidenecyclopropanes.
Authors of publication	Zhang, Xiao-Yu; Yang, Song; Wei, Yin; Shi, Min
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	35
Pages of publication	6399 - 6404
a	9.4746 ± 0.0004 Å
b	9.4905 ± 0.0004 Å
c	9.7931 ± 0.0004 Å
α	78.081 ± 0.001°
β	70.166 ± 0.001°
γ	77.527 ± 0.001°
Cell volume	800.24 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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