Crystallography Open Database

Information card for entry 7711604

Preview

Coordinates	7711604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H15 B F3 N
Calculated formula	C24 H15 B F3 N
Title of publication	Synthesis and stereochemistry of chiral aza-boraspirobifluorenes with tetrahedral boron-stereogenic centers
Authors of publication	Yoshigoe, Yusuke; Hashizume, Keiichiro; Saito, Shinichi
Journal of publication	Dalton Transactions
Year of publication	2022
a	13.3393 ± 0.0005 Å
b	9.398 ± 0.0003 Å
c	15.5279 ± 0.0005 Å
α	90°
β	110.466 ± 0.001°
γ	90°
Cell volume	1823.75 ± 0.11 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
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	0.095
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.1756
Goodness-of-fit parameter for all reflections included in the refinement	1.181
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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