Crystallography Open Database

Information card for entry 7705790

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Structure parameters

Formula	C15 H25 B Cl N
Calculated formula	C15 H25 B Cl N
SMILES	ClB(N(C(C)C)C(C)C)c1c(C)cc(C)cc1C
Title of publication	Insertion reactions of the C-B-N-substituted borinium cation [MesBN<sup>i</sup>Pr<sub>2</sub>]<sup/>.
Authors of publication	Bamford, Karlee L.; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	48
Pages of publication	17571 - 17577
a	7.8721 ± 0.0006 Å
b	13.7189 ± 0.0008 Å
c	15.4418 ± 0.0011 Å
α	90°
β	103.396 ± 0.003°
γ	90°
Cell volume	1622.29 ± 0.19 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.0558
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
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7705790.cif
260762	2021-01-07	cif/ Updating files of 7705788, 7705789, 7705790, 7705791, 7705792 Original log message: Adding full bibliography for 7705788--7705792.cif.	7705790.cif
259399	2020-12-01	cif/ Adding structures of 7705788, 7705789, 7705790, 7705791, 7705792 via cif-deposit CGI script.	7705790.cif