Crystallography Open Database

Information card for entry 4034367

Preview

Coordinates	4034367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 N O2
Calculated formula	C17 H15 N O2
SMILES	O=C(OCC)c1[nH]c(c2ccccc2)c2ccccc12
Title of publication	Synthesis of Isoindoles from Intramolecular Condensation of Benzyl Azides with α-Aryldiazoesters.
Authors of publication	Zhu, Jing; Li, Rui; Su, Yan; Gu, Peiming
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	9
Pages of publication	5813 - 5820
a	26.394 ± 0.003 Å
b	7.2723 ± 0.0008 Å
c	14.8685 ± 0.0013 Å
α	90°
β	95.381 ± 0.008°
γ	90°
Cell volume	2841.4 ± 0.5 Å³
Cell temperature	293.39 ± 0.1 K
Ambient diffraction temperature	293.39 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.102
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4034367.html