Crystallography Open Database

Information card for entry 7160155

Preview

Coordinates	7160155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 N O2 S
Calculated formula	C24 H21 N O2 S
Title of publication	Facile construction of benzofulvene frameworks <i>via</i> a palladium-catalysed three-component reaction.
Authors of publication	Zhu, Bo; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	42
Pages of publication	8397 - 8400
a	8.0757 ± 0.0012 Å
b	10.1099 ± 0.0015 Å
c	12.7198 ± 0.0016 Å
α	98.635 ± 0.005°
β	100.21 ± 0.004°
γ	99.599 ± 0.005°
Cell volume	990.3 ± 0.2 Å³
Cell temperature	270 ± 2 K
Ambient diffraction temperature	270 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1585
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
296678 (current)	2024-12-06	cif/ Updating files of 7160155 Original log message: Adding full bibliography for 7160155.cif.	7160155.cif
294874	2024-09-25	cif/ Adding structures of 7160155 via cif-deposit CGI script.	7160155.cif