Crystallography Open Database

Information card for entry 1554802

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Structure parameters

Formula	C24 H41 B2 O2 P
Calculated formula	C24 H41 B2 O2 P
SMILES	[P](C1CCCCC1)(C1CCCCC1)(c1ccccc1B1OC(C(O1)(C)C)(C)C)[BH3]
Title of publication	Efficient synthesis of (P-chirogenic) o-boronated phosphines from sec-phosphine boranes.
Authors of publication	Bayardon, Jérôme; Bernard, Julie; Rémond, Emmanuelle; Rousselin, Yoann; Malacea-Kabbara, Raluca; Jugé, Sylvain
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	5
Pages of publication	1216 - 1219
a	8.6014 ± 0.0001 Å
b	17.6656 ± 0.0003 Å
c	16.4517 ± 0.0003 Å
α	90°
β	107.162 ± 0.001°
γ	90°
Cell volume	2388.51 ± 0.07 Å³
Cell temperature	115 K
Ambient diffraction temperature	115 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	0.067
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1554802.cif
238127	2019-11-24	cif/ Adding structures of 1554802, 1554803, 1554804 via cif-deposit CGI script.	1554802.cif