Crystallography Open Database

Information card for entry 7711606

Preview

Coordinates	7711606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 B N O
Calculated formula	C24 H18 B N O
SMILES	O(C)c1cc2c(c3c(cccc3)[B]32[n]2c(cccc2)c2c3cccc2)cc1
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	11.938 ± 0.0005 Å
b	12.7143 ± 0.0005 Å
c	14.2807 ± 0.0006 Å
α	109.19 ± 0.001°
β	103.359 ± 0.002°
γ	108.885 ± 0.001°
Cell volume	1793.52 ± 0.13 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1426
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295862 (current)	2024-11-09	cif/7: Fixing Z values and formulae	7711606.cif
278868	2022-10-29	cif/ Adding structures of 7711602, 7711603, 7711604, 7711605, 7711606, 7711607, 7711608, 7711609, 7711610 via cif-deposit CGI script.	7711606.cif