Crystallography Open Database

Information card for entry 1543017

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Structure parameters

Formula	C24 H7 B F15 N
Calculated formula	C24 H7 B F15 N
SMILES	Fc1c(c(F)c(F)c(F)c1F)[B]([NH2]c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Synergistic Acid-Catalyzed Synthesis of N-Aryl-Substituted Azacycles from Anilines and Cyclic Ethers.
Authors of publication	Zhang, Zhenbei; Miao, Chengxia; Xia, Chungu; Sun, Wei
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	7
Pages of publication	1522 - 1525
a	13.7574 ± 0.0006 Å
b	8.8592 ± 0.0003 Å
c	18.0333 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2197.89 ± 0.14 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0765
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1543017.cif
181408	2016-04-04	cif/ Adding structures of 1543017 via cif-deposit CGI script.	1543017.cif