Crystallography Open Database

Information card for entry 4107701

Preview

Coordinates	4107701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H62 N4 O21
Calculated formula	C54 H62 N4 O21
Title of publication	Synthesis of [4.6.4.6]Fenestradienes and [4.6.4.6]Fenestrenes Based on an 8π-6π-Cyclization-Oxidation Cascade
Authors of publication	Catherine Hulot; Gaëlle Blond; Jean Suffert
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	5046 - 5047
a	8.822 ± 0.0002 Å
b	11.8739 ± 0.0002 Å
c	25.7218 ± 0.0008 Å
α	85.304 ± 0.002°
β	80.747 ± 0.001°
γ	85.016 ± 0.001°
Cell volume	2642.96 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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