Crystallography Open Database

Information card for entry 7131126

Preview

Coordinates	7131126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H48 B2 N4 O2
Calculated formula	C28 H48 B2 N4 O2
Title of publication	Transient hydroboration and hydroalumination of activated azo-species: avenues to NBO and NAlO-heterobicycles.
Authors of publication	Mandal, Dipendu; Hussain, Zahid; Luo, Yong-An; Wu, Yile; Stephan, Douglas W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	6
Pages of publication	780 - 783
a	19.545 ± 0.002 Å
b	9.5232 ± 0.0009 Å
c	16.5656 ± 0.0017 Å
α	90°
β	117.552 ± 0.012°
γ	90°
Cell volume	2733.7 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1308
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283033 (current)	2023-05-05	cif/ Updating files of 7131121, 7131122, 7131123, 7131124, 7131125, 7131126, 7131127, 7131128 Original log message: Adding full bibliography for 7131121--7131128.cif.	7131126.cif
279923	2022-12-17	cif/ Adding structures of 7131121, 7131122, 7131123, 7131124, 7131125, 7131126, 7131127, 7131128 via cif-deposit CGI script.	7131126.cif