Crystallography Open Database

Information card for entry 7713615

Preview

Coordinates	7713615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 N2 O
Calculated formula	C26 H20 N2 O
SMILES	N(=C(c1ccccc1)c1ccccc1)Nc1c(cccc1)C(=O)c1ccccc1
Title of publication	Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes
Authors of publication	Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu
Journal of publication	Dalton Transactions
Year of publication	2023
a	11.2744 ± 0.001 Å
b	10.696 ± 0.001 Å
c	17.0182 ± 0.0016 Å
α	90°
β	97.368 ± 0.001°
γ	90°
Cell volume	2035.3 ± 0.3 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1144
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
285400 (current)	2023-08-01	cif/ Adding structures of 7713593, 7713594, 7713595, 7713596, 7713597, 7713598, 7713599, 7713600, 7713601, 7713602, 7713603, 7713604, 7713605, 7713606, 7713607, 7713608, 7713609, 7713610, 7713611, 7713612, 7713613, 7713614, 7713615, 7713616, 7713617, 7713618 via cif-deposit CGI script.	7713615.cif