Crystallography Open Database

Information card for entry 1571335

Preview

Coordinates	1571335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 N2
Calculated formula	C17 H16 N2
Title of publication	Axially-chiral boramidine for detailed (chir)optical studies.
Authors of publication	Saleh, Nidal; Sucre-Rosales, Estefanía; Zinna, Francesco; Besnard, Céline; Vauthey, Eric; Lacour, Jérôme
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	17
Pages of publication	6530 - 6535
a	25.8699 ± 0.0002 Å
b	14.53966 ± 0.00015 Å
c	7.44906 ± 0.00008 Å
α	90°
β	90°
γ	90°
Cell volume	2801.89 ± 0.05 Å³
Cell temperature	100 ± 0.11 K
Ambient diffraction temperature	100 ± 0.11 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291558 (current)	2024-05-05	cif/ Updating files of 1571335 Original log message: Adding full bibliography for 1571335.cif.	1571335.cif
290736	2024-04-03	cif/ Adding structures of 1571335 via cif-deposit CGI script.	1571335.cif