Crystallography Open Database

Information card for entry 4102462

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Coordinates	4102462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H58 B4 Br4 N4 O25
Calculated formula	C55 H58 B4 Br4 N4 O25
Title of publication	Stereoretentive Suzuki-Miyaura Coupling of Haloallenes Enables Fully Stereocontrolled Access to (-)-Peridinin
Authors of publication	Eric M. Woerly; Alan H. Cherney; Erin K. Davis; Martin D. Burke
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	6941 - 6943
a	7.353 ± 0.0006 Å
b	17.5538 ± 0.0013 Å
c	24.646 ± 0.0018 Å
α	90°
β	92.247 ± 0.005°
γ	90°
Cell volume	3178.7 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1661
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.117
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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