Crystallography Open Database

Information card for entry 4024779

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Coordinates	4024779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H64
Calculated formula	C76 H64
Title of publication	A Convenient Synthesis of Tetrabenzo[de,hi,mn,qr]naphthacene from Readily Available 1,2-Di(phenanthren-4-yl)ethyne
Authors of publication	Anupam Mukherjee; Kamalkishore Pati; Rai-Shung Liu
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	6311 - 6314
a	14.151 ± 0.0003 Å
b	18.317 ± 0.0004 Å
c	21.0453 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5455 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1409
Residual factor for significantly intense reflections	0.1323
Weighted residual factors for significantly intense reflections	0.3158
Weighted residual factors for all reflections included in the refinement	0.3204
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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