Crystallography Open Database

Information card for entry 1575065

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Coordinates	1575065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 B N2 O2
Calculated formula	C26 H19 B N2 O
Title of publication	Boron-Centered Compounds: Exploring the Optical Properties of Spiro Derivatives with Imidazo[1,5-<i>a</i>]Pyridines.
Authors of publication	Cinco, Anita; Ardizzoia, G. Attilio; Brenna, Stefano; Therrien, Bruno; Colombo, Gioele
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2025
Journal volume	30
Journal issue	12
Pages of publication	2552
a	26.6167 ± 0.0005 Å
b	26.6167 ± 0.0005 Å
c	11.781 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	8346.2 ± 0.3 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	1.0536
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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