Crystallography Open Database

Information card for entry 4112305

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Structure parameters

Formula	C26 H28
Calculated formula	C26 H28
SMILES	c12c3c(cc(cc3)C(C)(C)C)ccc1ccc1c2ccc(C(C)(C)C)c1
Title of publication	Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure
Authors of publication	Patrick M. Donovan; Lawrence T. Scott
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	3108 - 3112
a	8.2248 ± 0.0012 Å
b	9.9887 ± 0.0015 Å
c	13.0969 ± 0.0018 Å
α	77.512 ± 0.004°
β	81.672 ± 0.004°
γ	67.844 ± 0.004°
Cell volume	970.6 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1143
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	0.844
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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