Crystallography Open Database

Information card for entry 7129270

Preview

Coordinates	7129270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H34 O4 P2 Si
Calculated formula	C48 H34 O4 P2 Si
SMILES	P(Oc1c2[Si]3(c4ccccc4Oc2ccc1)c1ccccc1Oc1cccc(OP(c2ccccc2)c2ccccc2)c31)(c1ccccc1)c1ccccc1
Title of publication	Concise Synthesis and Application of Enantiopure Spirobiphenoxasilin-Diol and Its Related Chiral Ligands
Authors of publication	Yang, Lei; Xu, Wen-Qiang; Liu, Tao; Wu, Yichen; Wang, Bi-Qin; Wang, Peng
Journal of publication	Chemical Communications
Year of publication	2021
a	9.4128 ± 0.0003 Å
b	9.5763 ± 0.0004 Å
c	26.1896 ± 0.001 Å
α	92.004 ± 0.001°
β	96.554 ± 0.001°
γ	115.774 ± 0.001°
Cell volume	2102.51 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0959
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1752
Weighted residual factors for all reflections included in the refinement	0.1965
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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