Crystallography Open Database

Information card for entry 7133235

Preview

Coordinates	7133235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H88 B2 Co F8 N4 O7
Calculated formula	C55 H88 B2 Co F8 N4 O7
Title of publication	Asymmetric dearomatization of benzyl 1-naphthyl ethers <i>via</i> [1,3] O-to-C rearrangement.
Authors of publication	Zeng, Hongkun; Wen, Gang; Lin, Lili; Feng, Xiaoming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	58
Pages of publication	7507 - 7510
a	12.6042 ± 0.0003 Å
b	16.7477 ± 0.0004 Å
c	13.9724 ± 0.0004 Å
α	90°
β	90.008 ± 0.001°
γ	90°
Cell volume	2949.45 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7133235.html