Crystallography Open Database

Information card for entry 7243503

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Coordinates	7243503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 N3 O2
Calculated formula	C28 H21 N3 O2
Title of publication	Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts
Authors of publication	Thadem, Nagender; Rajesh, Manda; Das, Saibal
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	48
Pages of publication	29934 - 29938
a	10.5012 ± 0.001 Å
b	21.4163 ± 0.0019 Å
c	10.7561 ± 0.0009 Å
α	90°
β	116.366 ± 0.003°
γ	90°
Cell volume	2167.4 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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