Crystallography Open Database

Information card for entry 4132424

Preview

Coordinates	4132424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.3 H52.6 Cl0.6 Si4
Calculated formula	C52.3 H52.6 Cl0.6 Si4
Title of publication	Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.
Authors of publication	Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	20
Pages of publication	6245 - 6248
a	9.7656 ± 0.0011 Å
b	16.3229 ± 0.0017 Å
c	16.4044 ± 0.0017 Å
α	106.021 ± 0.0017°
β	92.4568 ± 0.0018°
γ	96.7633 ± 0.0018°
Cell volume	2488.1 ± 0.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.0779
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1263
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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