Crystallography Open Database

Information card for entry 7703470

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Structure parameters

Formula	C38 H60 B Cl Si2
Calculated formula	C38 H60 B Cl Si2
Title of publication	2,5-Bis-trimethylsilyl substituted boroles.
Authors of publication	Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	8
Pages of publication	2706 - 2714
a	11.7378 ± 0.0004 Å
b	12.4676 ± 0.0004 Å
c	26.4693 ± 0.0009 Å
α	90°
β	99.127 ± 0.001°
γ	90°
Cell volume	3824.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1071
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
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.	7703470.cif
248917	2020-03-05	cif/ Updating files of 7703465, 7703466, 7703467, 7703468, 7703469, 7703470, 7703471, 7703472, 7703473, 7703474 Original log message: Adding full bibliography for 7703465--7703474.cif.	7703470.cif
247937	2020-02-07	cif/ Adding structures of 7703465, 7703466, 7703467, 7703468, 7703469, 7703470, 7703471, 7703472, 7703473, 7703474 via cif-deposit CGI script.	7703470.cif