Crystallography Open Database

Information card for entry 7131570

Preview

Coordinates	7131570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H25 N O
Calculated formula	C35 H25 N O
SMILES	O=C(C1=C(c2ccccc2)c2c(cccc2)[C@@]21Nc1c(cccc1)Cc1ccccc21)c1ccccc1
Title of publication	Synthesis of indene-fused spiro-dibenz(ox)azepines <i>via</i> Rh(III)-catalyzed cascade regioselective C-H activation/annulation.
Authors of publication	Naskar, Koushik; Karmakar, Sudip; Mondal, Imtiaj; Sarkar, Writhabrata; Roy, Shantonu; Roy, Anupam; Deb, Indubhusan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	50
Pages of publication	7751 - 7754
a	9.8267 ± 0.0012 Å
b	9.9692 ± 0.0011 Å
c	24.995 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2448.6 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284849 (current)	2023-07-05	cif/ Updating files of 7131569, 7131570, 7131571, 7131572, 7131573, 7131574 Original log message: Adding full bibliography for 7131569--7131574.cif.	7131570.cif
282745	2023-04-20	cif/ Adding structures of 7131569, 7131570, 7131571, 7131572, 7131573, 7131574 via cif-deposit CGI script.	7131570.cif