Crystallography Open Database

Information card for entry 4027922

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Coordinates	4027922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 N2 O14
Calculated formula	C48 H52 N2 O14
Title of publication	Synthesis of Bis(phenanthropyrroles) via a Tandem Scholl Oxidation
Authors of publication	Elżbieta Gońka; Damian Myśliwiec; Tadeusz Lis; Piotr J. Chmielewski; Marcin Stępień
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	1260 - 1265
a	21.753 ± 0.012 Å
b	14.269 ± 0.008 Å
c	17.857 ± 0.01 Å
α	90°
β	130.21 ± 0.05°
γ	90°
Cell volume	4233 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2106
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	0.933
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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