Crystallography Open Database

Information card for entry 7135578

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Coordinates	7135578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 N
Calculated formula	C20 H21 N
Title of publication	A concise synthesis of indole-fused azepino- and azocino-indoles <i>via</i> acid-catalyzed 1,2-migration.
Authors of publication	Parui, Nabin; Maji, Kousik; Diasi, Manab; Dash, Jyotirmayee
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2026
Journal volume	62
Journal issue	25
Pages of publication	6746 - 6750
a	6.9325 ± 0.0002 Å
b	11.039 ± 0.0004 Å
c	19.2749 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1475.07 ± 0.09 Å³
Cell temperature	160 K
Ambient diffraction temperature	160 K
Number of distinct elements	3
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	0.0399
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for all reflections included in the refinement	0.9503
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

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