Crystallography Open Database

Information card for entry 1573785

Preview

Coordinates	1573785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H40 Cl N2 P Si
Calculated formula	C27 H40 Cl N2 P Si
SMILES	c1(c(cccc1C(C)C)C(C)C)N1C(=NP(C(C)(C)C)(C(C)(C)C)=[Si]1Cl)c1ccccc1
Title of publication	A silicon analogue of a fused bicyclic borirene derivative.
Authors of publication	Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	10
Pages of publication	4512 - 4518
a	15.8487 ± 0.0006 Å
b	10.8456 ± 0.0004 Å
c	16.0281 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2755.05 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.1263
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
298793 (current)	2025-04-05	cif/ Updating files of 1573783, 1573784, 1573785, 1573786, 1573787, 1573788 Original log message: Adding full bibliography for 1573783--1573788.cif.	1573785.cif
297480	2025-01-28	cif/ Adding structures of 1573783, 1573784, 1573785, 1573786, 1573787, 1573788 via cif-deposit CGI script.	1573785.cif