Crystallography Open Database

Information card for entry 7132262

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Coordinates	7132262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 N2 O4
Calculated formula	C26 H22 N2 O4
SMILES	O(c1cc2c3c(n(nc3c3c(c2c(OC)c1)cccc3)c1ccccc1)C(=O)OCC)C
Title of publication	Transition Metal-Free and Temperature Dependent One-Pot Access to Phenanthrene-Fused Heterocycles via 1,3-Dipolar Cycloaddition Pathway
Authors of publication	Reddy, Mokilla Ramachandra; Eerappa , Rajakumara; Gedu, Satyanarayana
Journal of publication	Chemical Communications
Year of publication	2023
a	13.099 ± 0.0009 Å
b	16.0302 ± 0.0011 Å
c	10.1789 ± 0.0006 Å
α	90°
β	90.324 ± 0.002°
γ	90°
Cell volume	2137.3 ± 0.2 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0469
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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