Crystallography Open Database

Information card for entry 7156800

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Coordinates	7156800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 N2 O0.07
Calculated formula	C13.1429 H9.71429 N1.71429 O0.571429
Title of publication	A rearrangement involving a solid-state melt reaction for the synthesis of multifunctional tetrasubstituted olefins.
Authors of publication	Bakthadoss, Manickam; Raman, Selvakumar; Mushaf, Mohammad
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	19
Pages of publication	4767 - 4773
a	20.4023 ± 0.0013 Å
b	16.0765 ± 0.0013 Å
c	11.2547 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3691.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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