Crystallography Open Database

Information card for entry 4035013

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Coordinates	4035013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H86 Co4 O8 P4 Si2
Calculated formula	C88 H86 Co4 O8 P4 Si2
Title of publication	Synthesis of Polyynes Using Dicobalt Masking Groups.
Authors of publication	Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	4
Pages of publication	2077 - 2086
a	11.5368 ± 0.0011 Å
b	12.2121 ± 0.001 Å
c	17.3928 ± 0.0018 Å
α	82.618 ± 0.007°
β	84.683 ± 0.008°
γ	81.577 ± 0.007°
Cell volume	2397.1 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for all reflections	0.1335
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.0096
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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