Crystallography Open Database

Information card for entry 4114040

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Coordinates	4114040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H66 O Si3
Calculated formula	C34.42 O Si3
Title of publication	A Stable Silicon Congener of Highly Strained Bicyclo[3.2.0]hepta-1,3,6-triene
Authors of publication	Yoshihiro Kon; Jun Ogasawara; Kenkichi Sakamoto; Chizuko Kabuto; Mitsuo Kira
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	9310 - 9311
a	15.164 ± 0.001 Å
b	11.6439 ± 0.0005 Å
c	42.775 ± 0.004 Å
α	90°
β	98.969 ± 0.001°
γ	90°
Cell volume	7460.4 ± 0.9 Å³
Cell temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	2.043
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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