Crystallography Open Database

Information card for entry 7714643

Preview

Coordinates	7714643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H23 B N O2
Calculated formula	C13 H23 B N O2
Title of publication	The impact of Lewis acid variation on reactions with di-<i>tert</i>-butyl diazo diesters.
Authors of publication	Bedi, Vaibhav; Mandal, Dipendu; Hussain, Zahid; Chen, Shi-Ming; Wu, Yile; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	2
Pages of publication	439 - 443
a	18.1833 ± 0.0014 Å
b	12.0913 ± 0.0014 Å
c	12.3509 ± 0.0012 Å
α	90°
β	93.667 ± 0.008°
γ	90°
Cell volume	2709.9 ± 0.5 Å³
Cell temperature	150.01 K
Ambient diffraction temperature	150.01 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.0796
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
289525 (current)	2024-02-04	cif/ Updating files of 7714643, 7714644, 7714645 Original log message: Adding full bibliography for 7714643--7714645.cif.	7714643.cif
288171	2023-12-08	cif/ Adding structures of 7714643, 7714644, 7714645 via cif-deposit CGI script.	7714643.cif